2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one

C12H13NO2 — CID 13069720

IUPAC2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h3-7,11,14H,1-2H3
InChIKeyOEWAGTZNODASNY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.69
Rot. Bonds1

About 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one

2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one (PubChem CID 13069720) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one
PubChem CID13069720
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h3-7,11,14H,1-2H3
InChIKeyOEWAGTZNODASNY-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one (CID 13069720) is 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one is CC1=C(C)C(O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one?
The InChIKey is OEWAGTZNODASNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h3-7,11,14H,1-2H3.
What are the key properties of 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one?
2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 13069720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).