2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile

C18H17N3 — CID 758406

IUPAC2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile
SMILESN#Cc1ccccc1/N=C1\CCCN1Cc1ccccc1
InChIInChI=1S/C18H17N3/c19-13-16-9-4-5-10-17(16)20-18-11-6-12-21(18)14-15-7-2-1-3-8-15/h1-5,7-10H,6,11-12,14H2/b20-18+
InChIKeyMDJXKNLPTDVNJN-CZIZESTLSA-N
MW275.36 g/mol
LogP3.88
Rot. Bonds3

About 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile

2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile (PubChem CID 758406) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile
PubChem CID758406
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile
SMILESN#Cc1ccccc1/N=C1\CCCN1Cc1ccccc1
InChIInChI=1S/C18H17N3/c19-13-16-9-4-5-10-17(16)20-18-11-6-12-21(18)14-15-7-2-1-3-8-15/h1-5,7-10H,6,11-12,14H2/b20-18+
InChIKeyMDJXKNLPTDVNJN-CZIZESTLSA-N
XLogP3.88
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile?
The IUPAC name of 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile (CID 758406) is 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile?
The canonical SMILES for 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile is N#Cc1ccccc1/N=C1\CCCN1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile?
The InChIKey is MDJXKNLPTDVNJN-CZIZESTLSA-N. The full InChI is InChI=1S/C18H17N3/c19-13-16-9-4-5-10-17(16)20-18-11-6-12-21(18)14-15-7-2-1-3-8-15/h1-5,7-10H,6,11-12,14H2/b20-18+.
What are the key properties of 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile?
2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-2-ylidene)amino]benzonitrile is sourced from PubChem (CID 758406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).