N-(2-oxoethyl)-N-prop-2-enylacetamide

C7H11NO2 — CID 19738524

IUPACN-(2-oxoethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC=O)C(C)=O
InChIInChI=1S/C7H11NO2/c1-3-4-8(5-6-9)7(2)10/h3,6H,1,4-5H2,2H3
InChIKeyOVOKHAJTOUHRHT-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.22
Rot. Bonds4

About N-(2-oxoethyl)-N-prop-2-enylacetamide

N-(2-oxoethyl)-N-prop-2-enylacetamide (PubChem CID 19738524) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(2-oxoethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-oxoethyl)-N-prop-2-enylacetamide
PubChem CID19738524
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(2-oxoethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC=O)C(C)=O
InChIInChI=1S/C7H11NO2/c1-3-4-8(5-6-9)7(2)10/h3,6H,1,4-5H2,2H3
InChIKeyOVOKHAJTOUHRHT-UHFFFAOYSA-N
XLogP0.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-oxoethyl)-N-prop-2-enylacetamide 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 N-(2-oxoethyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2-oxoethyl)-N-prop-2-enylacetamide (CID 19738524) is N-(2-oxoethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-oxoethyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-oxoethyl)-N-prop-2-enylacetamide is C=CCN(CC=O)C(C)=O.
What is the InChIKey of N-(2-oxoethyl)-N-prop-2-enylacetamide?
The InChIKey is OVOKHAJTOUHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-8(5-6-9)7(2)10/h3,6H,1,4-5H2,2H3.
What are the key properties of N-(2-oxoethyl)-N-prop-2-enylacetamide?
N-(2-oxoethyl)-N-prop-2-enylacetamide has a molecular weight of 141.17 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 19738524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).