(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one

C24H23NO2 — CID 155071218

IUPAC(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC[C@@](C)(c3ccc(-c4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C24H23NO2/c1-24(20-10-8-19(9-11-20)18-6-4-3-5-7-18)16-17-25(23(24)26)21-12-14-22(27-2)15-13-21/h3-15H,16-17H2,1-2H3/t24-/m0/s1
InChIKeyYPFBRFDZXBKWPT-DEOSSOPVSA-N
MW357.45 g/mol
LogP5.06
Rot. Bonds4

About (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one

(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one (PubChem CID 155071218) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one
PubChem CID155071218
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC[C@@](C)(c3ccc(-c4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C24H23NO2/c1-24(20-10-8-19(9-11-20)18-6-4-3-5-7-18)16-17-25(23(24)26)21-12-14-22(27-2)15-13-21/h3-15H,16-17H2,1-2H3/t24-/m0/s1
InChIKeyYPFBRFDZXBKWPT-DEOSSOPVSA-N
XLogP5.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562
(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one
CID 159273623
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
CID 138514500
(4R)-1-(4-methoxyphenyl)-4-phenylpiperidin-2-one
CID 122401830
4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
CID 56689852
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one (CID 155071218) is (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one is COc1ccc(N2CC[C@@](C)(c3ccc(-c4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one?
The InChIKey is YPFBRFDZXBKWPT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23NO2/c1-24(20-10-8-19(9-11-20)18-6-4-3-5-7-18)16-17-25(23(24)26)21-12-14-22(27-2)15-13-21/h3-15H,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one?
(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 155071218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).