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

C23H27NO — CID 11695680

IUPAC1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccc(-c3ccccc3)cc2)CCN1C1CCCCC1
InChIInChI=1S/C23H27NO/c25-23-21(15-16-24(23)22-9-5-2-6-10-22)17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1,3-4,7-8,11-14,21-22H,2,5-6,9-10,15-17H2
InChIKeyPTQHUVOYPNGMMF-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.08
Rot. Bonds4

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

1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 11695680) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID11695680
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccc(-c3ccccc3)cc2)CCN1C1CCCCC1
InChIInChI=1S/C23H27NO/c25-23-21(15-16-24(23)22-9-5-2-6-10-22)17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1,3-4,7-8,11-14,21-22H,2,5-6,9-10,15-17H2
InChIKeyPTQHUVOYPNGMMF-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 11695680) is 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one is O=C1C(Cc2ccc(-c3ccccc3)cc2)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PTQHUVOYPNGMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c25-23-21(15-16-24(23)22-9-5-2-6-10-22)17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1,3-4,7-8,11-14,21-22H,2,5-6,9-10,15-17H2.
What are the key properties of 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 333.48 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 11695680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).