2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one

C11H11NO2 — CID 11095388

IUPAC2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H11NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7,10,13H,1H3
InChIKeyGVETWEBKXNMQKR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.30
Rot. Bonds1

About 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one

2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one (PubChem CID 11095388) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one
PubChem CID11095388
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H11NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7,10,13H,1H3
InChIKeyGVETWEBKXNMQKR-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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3,4-Dimethyl-1-phenyl-1H-pyrrole-2,5-dione
CID 12685020
2-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 13001254
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one (CID 11095388) is 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one is CC1=CC(O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one?
The InChIKey is GVETWEBKXNMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7,10,13H,1H3.
What are the key properties of 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one?
2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 11095388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).