2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile

C11H13N3 — CID 94340791

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CC[C@@H](N)C1
InChIInChI=1S/C11H13N3/c12-7-9-3-1-2-4-11(9)14-6-5-10(13)8-14/h1-4,10H,5-6,8,13H2/t10-/m1/s1
InChIKeyDEKPJGBUFVJVKN-SNVBAGLBSA-N
MW187.25 g/mol
LogP1.10
Rot. Bonds1

About 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile

2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile (PubChem CID 94340791) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
PubChem CID94340791
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CC[C@@H](N)C1
InChIInChI=1S/C11H13N3/c12-7-9-3-1-2-4-11(9)14-6-5-10(13)8-14/h1-4,10H,5-6,8,13H2/t10-/m1/s1
InChIKeyDEKPJGBUFVJVKN-SNVBAGLBSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-3-aminopyrrolidin-1-yl]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-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile (CID 94340791) is 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile is N#Cc1ccccc1N1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile?
The InChIKey is DEKPJGBUFVJVKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-9-3-1-2-4-11(9)14-6-5-10(13)8-14/h1-4,10H,5-6,8,13H2/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile?
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 94340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).