1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile

C20H19N3 — CID 122202882

IUPAC1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile
SMILESCC1(C#N)CC(c2ccccc2)(c2ccccc2)CN1CC#N
InChIInChI=1S/C20H19N3/c1-19(15-22)14-20(16-23(19)13-12-21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,13-14,16H2,1H3
InChIKeyOPTAVVJOGAGRCE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.48
Rot. Bonds3

About 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile

1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile (PubChem CID 122202882) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile
PubChem CID122202882
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile
SMILESCC1(C#N)CC(c2ccccc2)(c2ccccc2)CN1CC#N
InChIInChI=1S/C20H19N3/c1-19(15-22)14-20(16-23(19)13-12-21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,13-14,16H2,1H3
InChIKeyOPTAVVJOGAGRCE-UHFFFAOYSA-N
XLogP3.48
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(1-acetyl-2-methyl-4,4-diphenylpyrrolidin-2-yl)acetonitrile
CID 102198649
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
2-benzyl-7a-methyl-6,6-diphenyl-5,7-dihydro-1H-pyrrolo[1,2-c]imidazole-3-thione
CID 122394347
2-(4-phenyl-1,2-diazabicyclo[2.2.2]octan-2-yl)acetonitrile
CID 125479275
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
CID 13199261
1-benzylsulfinyl-2-methylaziridine-2-carbonitrile
CID 87948637
3,3-diethyl-1-phenylcyclobutane-1-carbonitrile
CID 23294999
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
CID 101094034
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile (CID 122202882) is 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile is CC1(C#N)CC(c2ccccc2)(c2ccccc2)CN1CC#N.
What is the InChIKey of 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile?
The InChIKey is OPTAVVJOGAGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-19(15-22)14-20(16-23(19)13-12-21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,13-14,16H2,1H3.
What are the key properties of 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile?
1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 122202882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).