4-methyliminopyrrolidine-3-carbonitrile

C6H9N3 — CID 58961676

IUPAC4-methyliminopyrrolidine-3-carbonitrile
SMILESC/N=C1\CNCC1C#N
InChIInChI=1S/C6H9N3/c1-8-6-4-9-3-5(6)2-7/h5,9H,3-4H2,1H3/b8-6+
InChIKeyGAGQYQJKMOZHTE-SOFGYWHQSA-N
MW123.16 g/mol
LogP-0.20
Rot. Bonds

About 4-methyliminopyrrolidine-3-carbonitrile

4-methyliminopyrrolidine-3-carbonitrile (PubChem CID 58961676) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-methyliminopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyliminopyrrolidine-3-carbonitrile
PubChem CID58961676
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-methyliminopyrrolidine-3-carbonitrile
SMILESC/N=C1\CNCC1C#N
InChIInChI=1S/C6H9N3/c1-8-6-4-9-3-5(6)2-7/h5,9H,3-4H2,1H3/b8-6+
InChIKeyGAGQYQJKMOZHTE-SOFGYWHQSA-N
XLogP-0.20
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyliminopyrrolidine-3-carbonitrile 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 4-methyliminopyrrolidine-3-carbonitrile?
The IUPAC name of 4-methyliminopyrrolidine-3-carbonitrile (CID 58961676) is 4-methyliminopyrrolidine-3-carbonitrile.
What is the SMILES notation for 4-methyliminopyrrolidine-3-carbonitrile?
The canonical SMILES for 4-methyliminopyrrolidine-3-carbonitrile is C/N=C1\CNCC1C#N.
What is the InChIKey of 4-methyliminopyrrolidine-3-carbonitrile?
The InChIKey is GAGQYQJKMOZHTE-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H9N3/c1-8-6-4-9-3-5(6)2-7/h5,9H,3-4H2,1H3/b8-6+.
What are the key properties of 4-methyliminopyrrolidine-3-carbonitrile?
4-methyliminopyrrolidine-3-carbonitrile has a molecular weight of 123.16 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliminopyrrolidine-3-carbonitrile is sourced from PubChem (CID 58961676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).