5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one

C19H21NO — CID 66105255

IUPAC5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C2CC(=O)NC2Cc2ccccc2)c1C
InChIInChI=1S/C19H21NO/c1-13-7-6-10-16(14(13)2)17-12-19(21)20-18(17)11-15-8-4-3-5-9-15/h3-10,17-18H,11-12H2,1-2H3,(H,20,21)
InChIKeyFXNXMEYLMQADFG-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.52
Rot. Bonds3

About 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one

5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one (PubChem CID 66105255) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one
PubChem CID66105255
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C2CC(=O)NC2Cc2ccccc2)c1C
InChIInChI=1S/C19H21NO/c1-13-7-6-10-16(14(13)2)17-12-19(21)20-18(17)11-15-8-4-3-5-9-15/h3-10,17-18H,11-12H2,1-2H3,(H,20,21)
InChIKeyFXNXMEYLMQADFG-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(2,3-dimethylphenyl)-6-phenyl-3,4-dihydro-1H-pyridin-2-one
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(5R)-5-benzylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one (CID 66105255) is 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(C2CC(=O)NC2Cc2ccccc2)c1C.
What is the InChIKey of 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is FXNXMEYLMQADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-7-6-10-16(14(13)2)17-12-19(21)20-18(17)11-15-8-4-3-5-9-15/h3-10,17-18H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one?
5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 66105255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).