tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
TL;DR: tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate (CAS 113906-90-4) is a chemical compound with molecular formula C10H15N3O2 and molecular weight 209.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
Also Known As: Hydrazinecarboxylic acid, (1H-pyrrol-2-ylmethylene)-, 1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C10H15N3O2 |
| Molecular Weight | 209.11642 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.11642 Da |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
| SMILES | CC(C)(C)OC(=O)NN=CC1=CC=CN1 |
| InChIKey | TXJMXJIZIFLYON-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
Property Insights of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The CAS number of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is 113906-90-4.
What is the molecular formula of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The molecular formula of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is C10H15N3O2.
What is the molecular weight of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The molecular weight of tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is 209.11642 g/mol.
Where can I buy tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
You can request a quote for tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.