(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C19H19NO2 — CID 59318478

IUPAC(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)20-18(11-12-19(20)22)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyPWCYRANVDWZMJF-SFHVURJKSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds3

About (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 59318478) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID59318478
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)20-18(11-12-19(20)22)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyPWCYRANVDWZMJF-SFHVURJKSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;ethane
CID 145264211
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 66739288
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
tert-butyl (5R)-3-(dimethylaminomethylidene)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 159165454
tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
CID 126684515
(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one
CID 134941364
1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one
CID 15670583
prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 67987687
5-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 77392127
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(5S)-1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 157283864

Frequently Asked Questions

What is the IUPAC name of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 59318478) is (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is CC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PWCYRANVDWZMJF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(21)20-18(11-12-19(20)22)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59318478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).