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

C17H17NO — CID 66106755

IUPAC5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
SMILESCC1NC(=O)CC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-12-16(11-17(19)18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,18,19)
InChIKeyRUROVSSAWPSZKA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.35
Rot. Bonds2

About 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one

5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one (PubChem CID 66106755) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
PubChem CID66106755
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
SMILESCC1NC(=O)CC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-12-16(11-17(19)18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,18,19)
InChIKeyRUROVSSAWPSZKA-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one (CID 66106755) is 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one is CC1NC(=O)CC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
The InChIKey is RUROVSSAWPSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-16(11-17(19)18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,18,19).
What are the key properties of 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one?
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 66106755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).