2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide

C13H12N2O2 — CID 3787371

IUPAC2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O2/c1-15-9-5-8-11(15)12(16)13(17)14-10-6-3-2-4-7-10/h2-9H,1H3,(H,14,17)
InChIKeyWDAXXYKTDXPPTP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.85
Rot. Bonds3

About 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide

2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide (PubChem CID 3787371) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide
PubChem CID3787371
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O2/c1-15-9-5-8-11(15)12(16)13(17)14-10-6-3-2-4-7-10/h2-9H,1H3,(H,14,17)
InChIKeyWDAXXYKTDXPPTP-UHFFFAOYSA-N
XLogP1.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide 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-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide (CID 3787371) is 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide is Cn1cccc1C(=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide?
The InChIKey is WDAXXYKTDXPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-9-5-8-11(15)12(16)13(17)14-10-6-3-2-4-7-10/h2-9H,1H3,(H,14,17).
What are the key properties of 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide?
2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide has a molecular weight of 228.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-2-oxo-N-phenylacetamide is sourced from PubChem (CID 3787371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).