2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide

C12H14N2O2 — CID 47028490

IUPAC2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(CC1C=CCC1)Nc1c[nH]ccc1=O
InChIInChI=1S/C12H14N2O2/c15-11-5-6-13-8-10(11)14-12(16)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,13,15)(H,14,16)
InChIKeyPQWKUJXQZBKRAK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.67
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide

2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 47028490) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide
PubChem CID47028490
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(CC1C=CCC1)Nc1c[nH]ccc1=O
InChIInChI=1S/C12H14N2O2/c15-11-5-6-13-8-10(11)14-12(16)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,13,15)(H,14,16)
InChIKeyPQWKUJXQZBKRAK-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide 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 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide (CID 47028490) is 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide is O=C(CC1C=CCC1)Nc1c[nH]ccc1=O.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is PQWKUJXQZBKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-5-6-13-8-10(11)14-12(16)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,13,15)(H,14,16).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide?
2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(4-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 47028490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).