5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C8H12N2O2 — CID 17222581

IUPAC5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C8H12N2O2/c1-2-3-10-5-6(8(9)12)4-7(10)11/h2,6H,1,3-5H2,(H2,9,12)
InChIKeyDPOUOOUYFYJTOQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.49
Rot. Bonds3

About 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 17222581) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID17222581
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C8H12N2O2/c1-2-3-10-5-6(8(9)12)4-7(10)11/h2,6H,1,3-5H2,(H2,9,12)
InChIKeyDPOUOOUYFYJTOQ-UHFFFAOYSA-N
XLogP-0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide 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 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 17222581) is 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1CC(C(N)=O)CC1=O.
What is the InChIKey of 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is DPOUOOUYFYJTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-10-5-6(8(9)12)4-7(10)11/h2,6H,1,3-5H2,(H2,9,12).
What are the key properties of 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17222581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).