5-imino-3-methyl-4-phenylpyrrol-2-one

C11H10N2O — CID 174850646

IUPAC5-imino-3-methyl-4-phenylpyrrol-2-one
SMILES[H]/N=C1\NC(=O)C(C)=C1c1ccccc1
InChIInChI=1S/C11H10N2O/c1-7-9(10(12)13-11(7)14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14)
InChIKeyRZLSHYBODDPJSY-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.57
Rot. Bonds1

About 5-imino-3-methyl-4-phenylpyrrol-2-one

5-imino-3-methyl-4-phenylpyrrol-2-one (PubChem CID 174850646) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-imino-3-methyl-4-phenylpyrrol-2-one.

Molecular Properties

Compound Name5-imino-3-methyl-4-phenylpyrrol-2-one
PubChem CID174850646
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-imino-3-methyl-4-phenylpyrrol-2-one
SMILES[H]/N=C1\NC(=O)C(C)=C1c1ccccc1
InChIInChI=1S/C11H10N2O/c1-7-9(10(12)13-11(7)14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14)
InChIKeyRZLSHYBODDPJSY-UHFFFAOYSA-N
XLogP1.57
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-imino-3-methyl-4-phenylpyrrol-2-one 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-imino-3-methyl-4-phenylpyrrol-2-one?
The IUPAC name of 5-imino-3-methyl-4-phenylpyrrol-2-one (CID 174850646) is 5-imino-3-methyl-4-phenylpyrrol-2-one.
What is the SMILES notation for 5-imino-3-methyl-4-phenylpyrrol-2-one?
The canonical SMILES for 5-imino-3-methyl-4-phenylpyrrol-2-one is [H]/N=C1\NC(=O)C(C)=C1c1ccccc1.
What is the InChIKey of 5-imino-3-methyl-4-phenylpyrrol-2-one?
The InChIKey is RZLSHYBODDPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-9(10(12)13-11(7)14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 5-imino-3-methyl-4-phenylpyrrol-2-one?
5-imino-3-methyl-4-phenylpyrrol-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-3-methyl-4-phenylpyrrol-2-one is sourced from PubChem (CID 174850646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).