4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one

C19H23NO3 — CID 102356288

IUPAC4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one
SMILESCC(=O)C1=C(c2ccccc2)C(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C19H23NO3/c1-13(21)17-16(14-9-5-3-6-10-14)18(22)20(19(17,2)23)15-11-7-4-8-12-15/h3,5-6,9-10,15,23H,4,7-8,11-12H2,1-2H3
InChIKeyQQAJASVNJBZIKL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.91
Rot. Bonds3

About 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one

4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one (PubChem CID 102356288) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one.

Molecular Properties

Compound Name4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one
PubChem CID102356288
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one
SMILESCC(=O)C1=C(c2ccccc2)C(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C19H23NO3/c1-13(21)17-16(14-9-5-3-6-10-14)18(22)20(19(17,2)23)15-11-7-4-8-12-15/h3,5-6,9-10,15,23H,4,7-8,11-12H2,1-2H3
InChIKeyQQAJASVNJBZIKL-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrol-2(5H)-one, 4-acetyl-1-cyclohexyl-3-hydroxy-5-phenyl-
CID 544948
4-Hydroxy-6-isobutyl-1-methyl-3-phenyl-pyridin-2-one
CID 76280929
4-Hydroxy-6-isobutyl-1-isopropyl-3-phenyl-pyridin-2-one
CID 127040788
1-Benzyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54713545
1-Cyclohexyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54719915
4-acetyl-1-benzyl-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868907
3-Butyl-3-hydroxy-2-(4-phenylbutyl)-4,5-dihydroisoindol-1-one
CID 175418758
3-Butyl-3-hydroxy-2-(2-phenylethyl)-4,5-dihydroisoindol-1-one
CID 175418769
3-Acetyl-4-hydroxy-5-oxo-2-phenyl-1-(phenylethyl)-3-pyrroline
CID 43842665
1-Butyl-3,4-diphenyl-1h-pyrrole-2,5-dione
CID 58821938
7-Hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
CID 54691169
4-Hydroxy-1,6-dimethyl-3-phenyl-pyridin-2-one
CID 54719909

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one?
The IUPAC name of 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one (CID 102356288) is 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one.
What is the SMILES notation for 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one?
The canonical SMILES for 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one is CC(=O)C1=C(c2ccccc2)C(=O)N(C2CCCCC2)C1(C)O.
What is the InChIKey of 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one?
The InChIKey is QQAJASVNJBZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(21)17-16(14-9-5-3-6-10-14)18(22)20(19(17,2)23)15-11-7-4-8-12-15/h3,5-6,9-10,15,23H,4,7-8,11-12H2,1-2H3.
What are the key properties of 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one?
4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one is sourced from PubChem (CID 102356288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).