1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one

C18H23NO2 — CID 134852877

IUPAC1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one
SMILESCC1=C(c2ccccc2)C(C)(O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H23NO2/c1-13-16(14-9-5-3-6-10-14)18(2,21)19(17(13)20)15-11-7-4-8-12-15/h3,5-6,9-10,15,21H,4,7-8,11-12H2,1-2H3
InChIKeyKRUPZOMMWCXKOU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds2

About 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one

1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one (PubChem CID 134852877) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one
PubChem CID134852877
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one
SMILESCC1=C(c2ccccc2)C(C)(O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H23NO2/c1-13-16(14-9-5-3-6-10-14)18(2,21)19(17(13)20)15-11-7-4-8-12-15/h3,5-6,9-10,15,21H,4,7-8,11-12H2,1-2H3
InChIKeyKRUPZOMMWCXKOU-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Benzyl-4-chloro-5-hydroxy-5-phenylpyrrol-2-one
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CID 54693613
(2S)-4-acetyl-2-benzyl-1-decyl-3-hydroxy-2H-pyrrol-5-one
CID 54693628
(2S)-4-acetyl-1,2-dibenzyl-3-hydroxy-2H-pyrrol-5-one
CID 54693632
(2R)-4-acetyl-1,2-dibenzyl-3-hydroxy-2H-pyrrol-5-one
CID 54693634
3-Butyl-2-[(2-fluorophenyl)methyl]-3-hydroxy-4,5-dihydroisoindol-1-one
CID 168875450
LasB-IN-1
CID 168875457
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one?
The IUPAC name of 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one (CID 134852877) is 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one.
What is the SMILES notation for 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one?
The canonical SMILES for 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one is CC1=C(c2ccccc2)C(C)(O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one?
The InChIKey is KRUPZOMMWCXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-16(14-9-5-3-6-10-14)18(2,21)19(17(13)20)15-11-7-4-8-12-15/h3,5-6,9-10,15,21H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one?
1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hydroxy-3,5-dimethyl-4-phenylpyrrol-2-one is sourced from PubChem (CID 134852877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).