HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2-[1-(Phenylmethyl)-3-pyrrolidinyl]benzonitrile

HCID 19959040
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccccc1C1CCN(Cc2ccccc2)C1
InChIKey
WAAFSRGSXALOBC-UHFFFAOYSA-N
Molecular formula
C18H18N2
Average molar mass
262.3 g/mol

Names & identifiers

Preferred name
2-[1-(Phenylmethyl)-3-pyrrolidinyl]benzonitrile
IUPAC
2-(1-benzylpyrrolidin-3-yl)benzonitrile

Names & synonyms

SCHEMBL8844191WAAFSRGSXALOBC-UHFFFAOYSA-N2-[1-(Phenylmethyl)-3-pyrrolidinyl]benzonitrile2-[1-(Phenylmethyl)-3-pyrrolidinyl]-benzonitrile

Database identifiers

PubChem CID
19959040

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
350

Related reactions

5 records
New reaction record
HRID 54466 reaction equation
HRID 54466As productuspto-grants-1997_04
HRID 86857 reaction equation
HRID 86857As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1742843 reaction equation
HRID 1742843As productuspto-grants-1994_08
HRID 1757408 reaction equation
HRID 1757408As productuspto-grants-1995_08
HRID 1770015 reaction equation
HRID 1770015As productuspto-grants-1995_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes