benzyl N-ethylidenecarbamate

C10H11NO2 — CID 57236023

IUPACbenzyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3
InChIKeyPGRGSAIKFSPOJI-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.41
Rot. Bonds2

About benzyl N-ethylidenecarbamate

benzyl N-ethylidenecarbamate (PubChem CID 57236023) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is benzyl N-ethylidenecarbamate.

Molecular Properties

Compound Namebenzyl N-ethylidenecarbamate
PubChem CID57236023
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namebenzyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3
InChIKeyPGRGSAIKFSPOJI-UHFFFAOYSA-N
XLogP2.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-ethylidenecarbamate?
The IUPAC name of benzyl N-ethylidenecarbamate (CID 57236023) is benzyl N-ethylidenecarbamate.
What is the SMILES notation for benzyl N-ethylidenecarbamate?
The canonical SMILES for benzyl N-ethylidenecarbamate is CC=NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethylidenecarbamate?
The InChIKey is PGRGSAIKFSPOJI-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,8H2,1H3.
What are the key properties of benzyl N-ethylidenecarbamate?
benzyl N-ethylidenecarbamate has a molecular weight of 177.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethylidenecarbamate is sourced from PubChem (CID 57236023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).