2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile

C13H16N2 — CID 139381936

IUPAC2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile
SMILESC=C(C#N)/N=C/C(=C)C(C(=C)C)=C(C)C
InChIInChI=1S/C13H16N2/c1-9(2)13(10(3)4)11(5)8-15-12(6)7-14/h8H,1,5-6H2,2-4H3/b15-8+
InChIKeyLHFMOGUUUBZZCL-OVCLIPMQSA-N
MW200.28 g/mol
LogP3.56
Rot. Bonds4

About 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile

2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile (PubChem CID 139381936) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile
PubChem CID139381936
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile
SMILESC=C(C#N)/N=C/C(=C)C(C(=C)C)=C(C)C
InChIInChI=1S/C13H16N2/c1-9(2)13(10(3)4)11(5)8-15-12(6)7-14/h8H,1,5-6H2,2-4H3/b15-8+
InChIKeyLHFMOGUUUBZZCL-OVCLIPMQSA-N
XLogP3.56
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)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-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile?
The IUPAC name of 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile (CID 139381936) is 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile.
What is the SMILES notation for 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile?
The canonical SMILES for 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile is C=C(C#N)/N=C/C(=C)C(C(=C)C)=C(C)C.
What is the InChIKey of 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile?
The InChIKey is LHFMOGUUUBZZCL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)13(10(3)4)11(5)8-15-12(6)7-14/h8H,1,5-6H2,2-4H3/b15-8+.
What are the key properties of 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile?
2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile has a molecular weight of 200.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-methylidene-3-prop-1-en-2-ylpent-3-enylidene)amino]prop-2-enenitrile is sourced from PubChem (CID 139381936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).