(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one

C18H19NO — CID 97284261

IUPAC(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
SMILESC[C@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C18H19NO/c1-14-10-11-19(18(14)20)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1
InChIKeyNPSQSZQKRNCIPR-AWEZNQCLSA-N
MW265.36 g/mol
LogP3.72
Rot. Bonds3

About (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one

(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 97284261) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID97284261
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
SMILESC[C@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C18H19NO/c1-14-10-11-19(18(14)20)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1
InChIKeyNPSQSZQKRNCIPR-AWEZNQCLSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
4-ethynyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
CID 168501804
[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 175835226
4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75470875
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
CID 166943014
2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 19967089
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride
CID 10934236
1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
CID 104680275

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one (CID 97284261) is (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one is C[C@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1=O.
What is the InChIKey of (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is NPSQSZQKRNCIPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-10-11-19(18(14)20)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one?
(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 97284261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).