ethyl N-ethylidenecarbamate

C5H9NO2 — CID 56617959

IUPACethyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC
InChIInChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,4H2,1-2H3
InChIKeyIPNDPBZPQYQKIH-UHFFFAOYSA-N
MW115.13 g/mol
LogP1.23
Rot. Bonds1

About ethyl N-ethylidenecarbamate

ethyl N-ethylidenecarbamate (PubChem CID 56617959) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is ethyl N-ethylidenecarbamate.

Molecular Properties

Compound Nameethyl N-ethylidenecarbamate
PubChem CID56617959
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Nameethyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC
InChIInChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,4H2,1-2H3
InChIKeyIPNDPBZPQYQKIH-UHFFFAOYSA-N
XLogP1.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.23
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 ethyl N-ethylidenecarbamate?
The IUPAC name of ethyl N-ethylidenecarbamate (CID 56617959) is ethyl N-ethylidenecarbamate.
What is the SMILES notation for ethyl N-ethylidenecarbamate?
The canonical SMILES for ethyl N-ethylidenecarbamate is CC=NC(=O)OCC.
What is the InChIKey of ethyl N-ethylidenecarbamate?
The InChIKey is IPNDPBZPQYQKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,4H2,1-2H3.
What are the key properties of ethyl N-ethylidenecarbamate?
ethyl N-ethylidenecarbamate has a molecular weight of 115.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylidenecarbamate is sourced from PubChem (CID 56617959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).