1,4,5-triphenylpyrrolidin-2-one

C22H19NO — CID 3541740

IUPAC1,4,5-triphenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H19NO/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-15,20,22H,16H2
InChIKeyRETUFDGISIPSFZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.95
Rot. Bonds3

About 1,4,5-triphenylpyrrolidin-2-one

1,4,5-triphenylpyrrolidin-2-one (PubChem CID 3541740) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1,4,5-triphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1,4,5-triphenylpyrrolidin-2-one
PubChem CID3541740
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1,4,5-triphenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H19NO/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-15,20,22H,16H2
InChIKeyRETUFDGISIPSFZ-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
CID 54515458
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CID 16731773
(1R,3R,4R)-2,3-diphenyl-2-azabicyclo[2.2.2]octan-5-one
CID 15352461
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
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(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
(4S,5R)-1,3,4,5-tetraphenylimidazolidine
CID 15727757
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
3-(methoxymethoxy)-1,4-diphenylazetidin-2-one
CID 500118
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
1,4-diphenylpiperidine-2,6-dione
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(2R)-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
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1,5,6-triphenyl-1,3-diazinane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1,4,5-triphenylpyrrolidin-2-one?
The IUPAC name of 1,4,5-triphenylpyrrolidin-2-one (CID 3541740) is 1,4,5-triphenylpyrrolidin-2-one.
What is the SMILES notation for 1,4,5-triphenylpyrrolidin-2-one?
The canonical SMILES for 1,4,5-triphenylpyrrolidin-2-one is O=C1CC(c2ccccc2)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 1,4,5-triphenylpyrrolidin-2-one?
The InChIKey is RETUFDGISIPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-15,20,22H,16H2.
What are the key properties of 1,4,5-triphenylpyrrolidin-2-one?
1,4,5-triphenylpyrrolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-triphenylpyrrolidin-2-one is sourced from PubChem (CID 3541740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).