ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate

C8H13NO3 — CID 11084330

IUPACethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC=O)C(=O)OCC
InChIInChI=1S/C8H13NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,7H,1,4-6H2,2H3
InChIKeyIQQODTFRDRREIO-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.83
Rot. Bonds5

About ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate

ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate (PubChem CID 11084330) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
PubChem CID11084330
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC=O)C(=O)OCC
InChIInChI=1S/C8H13NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,7H,1,4-6H2,2H3
InChIKeyIQQODTFRDRREIO-UHFFFAOYSA-N
XLogP0.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate 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 ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate (CID 11084330) is ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate is C=CCN(CC=O)C(=O)OCC.
What is the InChIKey of ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
The InChIKey is IQQODTFRDRREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,7H,1,4-6H2,2H3.
What are the key properties of ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate has a molecular weight of 171.20 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 11084330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).