methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
TL;DR: methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate (CAS 113930-17-9) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
Also Known As: Methyl N-(pyrrol-2-ylidenemethylamino)carbamate, Hydrazinecarboxylic acid, (1H-pyrrol-2-ylmethylene)-, methyl ester
Technical Specifications
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.06947 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.06947 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | COC(=O)NN=CC1=CC=CN1 |
| InChIKey | SJBYOCSTFULMQK-UHFFFAOYSA-N |
Chemical Property Profile of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
Property Insights of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate. Following Lipinski's Rule of Five, methyl 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 methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The CAS number of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is 113930-17-9.
What is the molecular formula of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The molecular formula of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is C7H9N3O2.
What is the molecular weight of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The molecular weight of methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is 167.06947 g/mol.
Where can I buy methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
You can request a quote for methyl 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 methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
Yes, CoreyChem provides custom synthesis services for methyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.