1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C24H29NO — CID 59299356

IUPAC1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC1CCCCC1N1CCC(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H29NO/c1-18-7-5-6-10-23(18)25-16-15-22(24(25)26)17-19-11-13-21(14-12-19)20-8-3-2-4-9-20/h2-4,8-9,11-14,18,22-23H,5-7,10,15-17H2,1H3
InChIKeyZPAVJYXYSZDWCS-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.32
Rot. Bonds4

About 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one

1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 59299356) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID59299356
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC1CCCCC1N1CCC(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H29NO/c1-18-7-5-6-10-23(18)25-16-15-22(24(25)26)17-19-11-13-21(14-12-19)20-8-3-2-4-9-20/h2-4,8-9,11-14,18,22-23H,5-7,10,15-17H2,1H3
InChIKeyZPAVJYXYSZDWCS-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 59299356) is 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one is CC1CCCCC1N1CCC(Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZPAVJYXYSZDWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-18-7-5-6-10-23(18)25-16-15-22(24(25)26)17-19-11-13-21(14-12-19)20-8-3-2-4-9-20/h2-4,8-9,11-14,18,22-23H,5-7,10,15-17H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 347.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59299356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).