2-[methyl-(methylideneamino)amino]prop-2-enenitrile

C5H7N3 — CID 126564399

IUPAC2-[methyl-(methylideneamino)amino]prop-2-enenitrile
SMILESC=NN(C)C(=C)C#N
InChIInChI=1S/C5H7N3/c1-5(4-6)8(3)7-2/h1-2H2,3H3
InChIKeySONAKLQGQAFPTE-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.57
Rot. Bonds2

About 2-[methyl-(methylideneamino)amino]prop-2-enenitrile

2-[methyl-(methylideneamino)amino]prop-2-enenitrile (PubChem CID 126564399) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-[methyl-(methylideneamino)amino]prop-2-enenitrile.

Molecular Properties

Compound Name2-[methyl-(methylideneamino)amino]prop-2-enenitrile
PubChem CID126564399
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name2-[methyl-(methylideneamino)amino]prop-2-enenitrile
SMILESC=NN(C)C(=C)C#N
InChIInChI=1S/C5H7N3/c1-5(4-6)8(3)7-2/h1-2H2,3H3
InChIKeySONAKLQGQAFPTE-UHFFFAOYSA-N
XLogP0.57
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[methyl-(methylideneamino)amino]prop-2-enenitrile 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-[methyl-(methylideneamino)amino]prop-2-enenitrile?
The IUPAC name of 2-[methyl-(methylideneamino)amino]prop-2-enenitrile (CID 126564399) is 2-[methyl-(methylideneamino)amino]prop-2-enenitrile.
What is the SMILES notation for 2-[methyl-(methylideneamino)amino]prop-2-enenitrile?
The canonical SMILES for 2-[methyl-(methylideneamino)amino]prop-2-enenitrile is C=NN(C)C(=C)C#N.
What is the InChIKey of 2-[methyl-(methylideneamino)amino]prop-2-enenitrile?
The InChIKey is SONAKLQGQAFPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-5(4-6)8(3)7-2/h1-2H2,3H3.
What are the key properties of 2-[methyl-(methylideneamino)amino]prop-2-enenitrile?
2-[methyl-(methylideneamino)amino]prop-2-enenitrile has a molecular weight of 109.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(methylideneamino)amino]prop-2-enenitrile is sourced from PubChem (CID 126564399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).