1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one

C18H19NO — CID 155799488

IUPAC1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
SMILESCc1ccc(CN2CC(c3ccccc3)CC2=O)cc1
InChIInChI=1S/C18H19NO/c1-14-7-9-15(10-8-14)12-19-13-17(11-18(19)20)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyVKKKMTWMPUDLAG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.51
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one

1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one (PubChem CID 155799488) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
PubChem CID155799488
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
SMILESCc1ccc(CN2CC(c3ccccc3)CC2=O)cc1
InChIInChI=1S/C18H19NO/c1-14-7-9-15(10-8-14)12-19-13-17(11-18(19)20)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyVKKKMTWMPUDLAG-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
phenyl (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8765157
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
CID 97281019
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005726
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958
1-[(4-methylphenyl)methyl]-5-oxo-N-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55921246

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one (CID 155799488) is 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one is Cc1ccc(CN2CC(c3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is VKKKMTWMPUDLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-7-9-15(10-8-14)12-19-13-17(11-18(19)20)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one?
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 155799488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).