benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
TL;DR: benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate (CAS 113905-39-8) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
Also Known As: benzyl N-[[(Z)-pyrrol-2-ylidenemethyl]amino]carbamate
Technical Specifications
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.10077 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.10077 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)NN=CC2=CC=CN2 |
| InChIKey | OJINFHONTDUAGF-UHFFFAOYSA-N |
Chemical Property Profile of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
Property Insights of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate. Following Lipinski's Rule of Five, benzyl 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 benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The CAS number of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is 113905-39-8.
What is the molecular formula of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The molecular formula of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is C13H13N3O2.
What is the molecular weight of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
The molecular weight of benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate is 243.10077 g/mol.
Where can I buy benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
You can request a quote for benzyl 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 benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate?
Yes, CoreyChem provides custom synthesis services for benzyl N-(1H-pyrrol-2-ylmethylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.