(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile

C10H12N2 — CID 166951005

IUPAC(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile
SMILESC=C/C(C)=N/C(C#N)=C\C(=C)C
InChIInChI=1S/C10H12N2/c1-5-9(4)12-10(7-11)6-8(2)3/h5-6H,1-2H2,3-4H3/b10-6-,12-9+
InChIKeyULZKOIKKLSTSAU-ZQNGMKBSSA-N
MW160.22 g/mol
LogP2.62
Rot. Bonds3

About (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile

(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile (PubChem CID 166951005) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile
PubChem CID166951005
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile
SMILESC=C/C(C)=N/C(C#N)=C\C(=C)C
InChIInChI=1S/C10H12N2/c1-5-9(4)12-10(7-11)6-8(2)3/h5-6H,1-2H2,3-4H3/b10-6-,12-9+
InChIKeyULZKOIKKLSTSAU-ZQNGMKBSSA-N
XLogP2.62
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.62
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 (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
N-prop-1-en-2-ylprop-2-enimidoyl cyanide
CID 143976470
(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
CID 153394347
2-methoxy-4-methylpenta-2,4-dienenitrile
CID 54546329
ethane;(2E,3E)-2-ethylidene-3-(2-methylprop-2-enylidene)butanedinitrile
CID 143322021
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
formonitrile;2-methylbuta-1,3-diene
CID 159945395
(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile
CID 138661706
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile?
The IUPAC name of (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile (CID 166951005) is (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile is C=C/C(C)=N/C(C#N)=C\C(=C)C.
What is the InChIKey of (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile?
The InChIKey is ULZKOIKKLSTSAU-ZQNGMKBSSA-N. The full InChI is InChI=1S/C10H12N2/c1-5-9(4)12-10(7-11)6-8(2)3/h5-6H,1-2H2,3-4H3/b10-6-,12-9+.
What are the key properties of (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile?
(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile has a molecular weight of 160.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 166951005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).