1-benzyl-2-methyl-4-phenylpyrrolidin-3-one

C18H19NO — CID 174765027

IUPAC1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
SMILESCC1C(=O)C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-18(20)17(16-10-6-3-7-11-16)13-19(14)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChIKeyFWYPUKNFZAHUHG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.24
Rot. Bonds3

About 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one

1-benzyl-2-methyl-4-phenylpyrrolidin-3-one (PubChem CID 174765027) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one.

Molecular Properties

Compound Name1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
PubChem CID174765027
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
SMILESCC1C(=O)C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-18(20)17(16-10-6-3-7-11-16)13-19(14)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChIKeyFWYPUKNFZAHUHG-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
1-benzyl-2-methyl-5-trimethylsilyl-2,6-dihydropyridin-3-one
CID 11086946
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-2-methylimidazolidin-4-one
CID 138110115
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one?
The IUPAC name of 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one (CID 174765027) is 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one.
What is the SMILES notation for 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one?
The canonical SMILES for 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one is CC1C(=O)C(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one?
The InChIKey is FWYPUKNFZAHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-18(20)17(16-10-6-3-7-11-16)13-19(14)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3.
What are the key properties of 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one?
1-benzyl-2-methyl-4-phenylpyrrolidin-3-one has a molecular weight of 265.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-4-phenylpyrrolidin-3-one is sourced from PubChem (CID 174765027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).