N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide

C9H12N2O2 — CID 54345946

IUPACN-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
SMILESC=CNC(=O)C=CN1CCCC1=O
InChIInChI=1S/C9H12N2O2/c1-2-10-8(12)5-7-11-6-3-4-9(11)13/h2,5,7H,1,3-4,6H2,(H,10,12)
InChIKeyUCIAEFXQOXKPNP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.38
Rot. Bonds3

About N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide

N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide (PubChem CID 54345946) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
PubChem CID54345946
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
SMILESC=CNC(=O)C=CN1CCCC1=O
InChIInChI=1S/C9H12N2O2/c1-2-10-8(12)5-7-11-6-3-4-9(11)13/h2,5,7H,1,3-4,6H2,(H,10,12)
InChIKeyUCIAEFXQOXKPNP-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prop-2-enimidic acid--1-ethenylpyrrolidin-2-one (1/1)
CID 168483
Dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride
CID 6453097
Vinylpyrrolidone methacrylamidopropyldimethylamine
CID 66594908
N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one
CID 69328668
1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
CID 70115748
1-Ethenylpyrrolidin-2-one;prop-2-en-1-amine
CID 134564650
1-ethenylpyrrolidin-2-one;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 161899874
(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
CID 11127541
1-Ethenylpyrrolidin-2-one;bis(propan-2-one);prop-2-enamide
CID 17960359
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 20567302
N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 20567304
Prop-2-enamide;pyrrolidin-2-one
CID 23358591

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
The IUPAC name of N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide (CID 54345946) is N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide.
What is the SMILES notation for N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
The canonical SMILES for N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide is C=CNC(=O)C=CN1CCCC1=O.
What is the InChIKey of N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
The InChIKey is UCIAEFXQOXKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-10-8(12)5-7-11-6-3-4-9(11)13/h2,5,7H,1,3-4,6H2,(H,10,12).
What are the key properties of N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide has a molecular weight of 180.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide is sourced from PubChem (CID 54345946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).