benzyl N-ethenylcarbamate

C10H11NO2 — CID 10931982

IUPACbenzyl N-ethenylcarbamate
SMILESC=CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKeyYGBQZFPEMRCQRY-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.06
Rot. Bonds3

About benzyl N-ethenylcarbamate

benzyl N-ethenylcarbamate (PubChem CID 10931982) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is benzyl N-ethenylcarbamate.

Molecular Properties

Compound Namebenzyl N-ethenylcarbamate
PubChem CID10931982
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namebenzyl N-ethenylcarbamate
SMILESC=CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKeyYGBQZFPEMRCQRY-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-ethenylcarbamate?
The IUPAC name of benzyl N-ethenylcarbamate (CID 10931982) is benzyl N-ethenylcarbamate.
What is the SMILES notation for benzyl N-ethenylcarbamate?
The canonical SMILES for benzyl N-ethenylcarbamate is C=CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethenylcarbamate?
The InChIKey is YGBQZFPEMRCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12).
What are the key properties of benzyl N-ethenylcarbamate?
benzyl N-ethenylcarbamate has a molecular weight of 177.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethenylcarbamate is sourced from PubChem (CID 10931982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).