1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one

C12H13NO2 — CID 42604620

IUPAC1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one
SMILESCC1(C)C(=O)C=C(c2ccccc2)N1O
InChIInChI=1S/C12H13NO2/c1-12(2)11(14)8-10(13(12)15)9-6-4-3-5-7-9/h3-8,15H,1-2H3
InChIKeyGYYPTBYQWOVWEJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.08
Rot. Bonds1

About 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one

1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one (PubChem CID 42604620) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one
PubChem CID42604620
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one
SMILESCC1(C)C(=O)C=C(c2ccccc2)N1O
InChIInChI=1S/C12H13NO2/c1-12(2)11(14)8-10(13(12)15)9-6-4-3-5-7-9/h3-8,15H,1-2H3
InChIKeyGYYPTBYQWOVWEJ-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-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 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one?
The IUPAC name of 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one (CID 42604620) is 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one.
What is the SMILES notation for 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one?
The canonical SMILES for 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one is CC1(C)C(=O)C=C(c2ccccc2)N1O.
What is the InChIKey of 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one?
The InChIKey is GYYPTBYQWOVWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)11(14)8-10(13(12)15)9-6-4-3-5-7-9/h3-8,15H,1-2H3.
What are the key properties of 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one?
1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one is sourced from PubChem (CID 42604620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).