3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C18H19NO — CID 56848255

IUPAC3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC1CC(Cc2ccc(-c3ccccc3)cc2)NC1=O
InChIInChI=1S/C18H19NO/c1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,19,20)
InChIKeyAFMGAVDATRJOJG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.42
Rot. Bonds3

About 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 56848255) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID56848255
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC1CC(Cc2ccc(-c3ccccc3)cc2)NC1=O
InChIInChI=1S/C18H19NO/c1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,19,20)
InChIKeyAFMGAVDATRJOJG-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 56848255) is 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is CC1CC(Cc2ccc(-c3ccccc3)cc2)NC1=O.
What is the InChIKey of 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is AFMGAVDATRJOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,19,20).
What are the key properties of 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 56848255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).