alpha-(1-Benzyl-3-pyrrolidinyl)-alpha,alpha-diphenylacetonitrile

HCID 13633740

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: N#CC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccccc2)C1
InChIKey: OGCSWAYKOXSEDZ-UHFFFAOYSA-N
Molecular formula: C25H24N2
Average molar mass: 352.5 g/mol

Names & identifiers

Preferred name: alpha-(1-Benzyl-3-pyrrolidinyl)-alpha,alpha-diphenylacetonitrile
IUPAC: 2-(1-benzylpyrrolidin-3-yl)-2,2-diphenylacetonitrile

Names & synonyms

Doxapram Impurity 30SCHEMBL956111OGCSWAYKOXSEDZ-UHFFFAOYSA-Nalpha,alpha-Diphenyl-1-(phenylmethyl)-3-pyrrolidineacetonitrilealpha-(1-benzyl-3-pyrrolidinyl)-alpha,alpha-diphenylacetonitrile

Database identifiers

PubChem CID: 13633740

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 482

Related reactions

24 records

New reaction record

HRID 190684As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 209262As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 299518As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 305320As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 684233As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 686533As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1193496As productuspto-grants-1989_03

HRID 1193497As reactantuspto-grants-1989_03

Compound notes

Loading…