3,3,5-triphenyl-1H-pyrrol-2-one

C22H17NO — CID 14668218

IUPAC3,3,5-triphenyl-1H-pyrrol-2-one
SMILESO=C1NC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO/c24-21-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-20(23-21)17-10-4-1-5-11-17/h1-16H,(H,23,24)
InChIKeyQEZMBSCTRIGNOK-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.14
Rot. Bonds3

About 3,3,5-triphenyl-1H-pyrrol-2-one

3,3,5-triphenyl-1H-pyrrol-2-one (PubChem CID 14668218) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 3,3,5-triphenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name3,3,5-triphenyl-1H-pyrrol-2-one
PubChem CID14668218
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name3,3,5-triphenyl-1H-pyrrol-2-one
SMILESO=C1NC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO/c24-21-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-20(23-21)17-10-4-1-5-11-17/h1-16H,(H,23,24)
InChIKeyQEZMBSCTRIGNOK-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3S)-3-methyl-3-phenylpiperazin-2-one
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4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine
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(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 11075334
5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one
CID 22068087
4-amino-3,4-diphenyl-1H-pyrazol-5-one
CID 13014951
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole
CID 154961020
5-methyl-5-phenyl-2,3-diazabicyclo[5.3.1]undeca-1(10),7(11),8-triene-4,6-dione
CID 90688423

Frequently Asked Questions

What is the IUPAC name of 3,3,5-triphenyl-1H-pyrrol-2-one?
The IUPAC name of 3,3,5-triphenyl-1H-pyrrol-2-one (CID 14668218) is 3,3,5-triphenyl-1H-pyrrol-2-one.
What is the SMILES notation for 3,3,5-triphenyl-1H-pyrrol-2-one?
The canonical SMILES for 3,3,5-triphenyl-1H-pyrrol-2-one is O=C1NC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3,5-triphenyl-1H-pyrrol-2-one?
The InChIKey is QEZMBSCTRIGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-21-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-20(23-21)17-10-4-1-5-11-17/h1-16H,(H,23,24).
What are the key properties of 3,3,5-triphenyl-1H-pyrrol-2-one?
3,3,5-triphenyl-1H-pyrrol-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-triphenyl-1H-pyrrol-2-one is sourced from PubChem (CID 14668218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).