1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one

C17H17NO — CID 162675981

IUPAC1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)CC1=O
InChIInChI=1S/C17H17NO/c1-18-12-16(11-17(18)19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyVGIBHJUUNDYCAO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.30
Rot. Bonds2

About 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one

1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one (PubChem CID 162675981) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
PubChem CID162675981
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)CC1=O
InChIInChI=1S/C17H17NO/c1-18-12-16(11-17(18)19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyVGIBHJUUNDYCAO-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one (CID 162675981) is 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one is CN1CC(c2ccc(-c3ccccc3)cc2)CC1=O.
What is the InChIKey of 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
The InChIKey is VGIBHJUUNDYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-12-16(11-17(18)19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 162675981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).