benzyl carbamate

C8H9NO2 — CID 12136

IUPACbenzyl carbamate
SMILESNC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyPUJDIJCNWFYVJX-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.28
Rot. Bonds2

About benzyl carbamate

benzyl carbamate (PubChem CID 12136) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is benzyl carbamate.

Molecular Properties

Compound Namebenzyl carbamate
PubChem CID12136
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namebenzyl carbamate
SMILESNC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyPUJDIJCNWFYVJX-UHFFFAOYSA-N
XLogP1.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate?
The IUPAC name of benzyl carbamate (CID 12136) is benzyl carbamate.
What is the SMILES notation for benzyl carbamate?
The canonical SMILES for benzyl carbamate is NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate?
The InChIKey is PUJDIJCNWFYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10).
What are the key properties of benzyl carbamate?
benzyl carbamate has a molecular weight of 151.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate is sourced from PubChem (CID 12136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).