2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile

C21H22N2O — CID 102198649

IUPAC2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile
SMILESCC(=O)N1CC(c2ccccc2)(c2ccccc2)CC1(C)CC#N
InChIInChI=1S/C21H22N2O/c1-17(24)23-16-21(15-20(23,2)13-14-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12H,13,15-16H2,1-2H3
InChIKeyGZKLLIWHIVWEJS-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.90
Rot. Bonds3

About 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile

2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile (PubChem CID 102198649) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile
PubChem CID102198649
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile
SMILESCC(=O)N1CC(c2ccccc2)(c2ccccc2)CC1(C)CC#N
InChIInChI=1S/C21H22N2O/c1-17(24)23-16-21(15-20(23,2)13-14-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12H,13,15-16H2,1-2H3
InChIKeyGZKLLIWHIVWEJS-UHFFFAOYSA-N
XLogP3.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile
CID 122202882
tert-butyl 3-(cyanomethyl)-3-phenylazetidine-1-carboxylate
CID 134341961
2-benzyl-7a-methyl-6,6-diphenyl-5,7-dihydro-1H-pyrrolo[1,2-c]imidazole-3-thione
CID 122394347
1-[2-(aminomethyl)-2-phenylpyrrolidin-1-yl]ethanone
CID 86102359
(1-cyano-2-methyl-2-phenylcyclopropyl) acetate
CID 539178
1-acetyl-3-methyl-3-phenyl-2H-indole-6-carbonitrile
CID 70981313
(2R)-1-acetyl-2-phenylpyrrolidine-2-carboxylic acid
CID 761131
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone
CID 95119683
1-[(5S)-2,5-dimethyl-5-phenyl-4H-imidazol-3-yl]ethanone
CID 164677804
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
1-(2,2-dimethylaziridin-1-yl)-3-phenylprop-2-en-1-one
CID 85352934

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile?
The IUPAC name of 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile (CID 102198649) is 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile?
The canonical SMILES for 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile is CC(=O)N1CC(c2ccccc2)(c2ccccc2)CC1(C)CC#N.
What is the InChIKey of 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile?
The InChIKey is GZKLLIWHIVWEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-17(24)23-16-21(15-20(23,2)13-14-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12H,13,15-16H2,1-2H3.
What are the key properties of 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile?
2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile has a molecular weight of 318.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile is sourced from PubChem (CID 102198649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).