4-ethenylidene-6-iminocyclohexene-1-carbonitrile

C9H8N2 — CID 91039047

IUPAC4-ethenylidene-6-iminocyclohexene-1-carbonitrile
SMILES[H]/N=C1\CC(=C=C)CC=C1C#N
InChIInChI=1S/C9H8N2/c1-2-7-3-4-8(6-10)9(11)5-7/h4,11H,1,3,5H2/b11-9+
InChIKeyKUPFLZGDHPRURN-PKNBQFBNSA-N
MW144.18 g/mol
LogP1.96
Rot. Bonds

About 4-ethenylidene-6-iminocyclohexene-1-carbonitrile

4-ethenylidene-6-iminocyclohexene-1-carbonitrile (PubChem CID 91039047) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4-ethenylidene-6-iminocyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-ethenylidene-6-iminocyclohexene-1-carbonitrile
PubChem CID91039047
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4-ethenylidene-6-iminocyclohexene-1-carbonitrile
SMILES[H]/N=C1\CC(=C=C)CC=C1C#N
InChIInChI=1S/C9H8N2/c1-2-7-3-4-8(6-10)9(11)5-7/h4,11H,1,3,5H2/b11-9+
InChIKeyKUPFLZGDHPRURN-PKNBQFBNSA-N
XLogP1.96
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Diimino-4-methylcyclohexa-3,6-diene-1,3-dicarbonitrile
CID 21218269
3,6-Diiminocyclohexa-1,4-diene-1,2-dicarbonitrile
CID 21218270
3-Imino-5,5-dimethylcyclohexene-1-carbonitrile
CID 22672911
4-Methylcyclohexa-1,3-diene-1-carboximidoyl cyanide
CID 89334840
6-Imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 89346723
3,6-Diiminocyclohexa-1,4-diene-1-carbonitrile
CID 90003161
(Z)-4-ethyl-5-iminohept-3-enenitrile
CID 90243438
(1E)-8-iminocycloocta-1,3-diene-1-carbonitrile
CID 123582259
3-Imino-5-methyl-2-propan-2-ylidenehex-4-enenitrile
CID 123602743
4-Ethenyl-6-iminocyclohexa-1,4-diene-1-carbonitrile
CID 123945901
4-Ethyl-3-imino-4-methylcyclohexene-1-carbonitrile
CID 123998301
5-[(Z)-4-iminopent-2-en-3-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 126663491

Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-6-iminocyclohexene-1-carbonitrile?
The IUPAC name of 4-ethenylidene-6-iminocyclohexene-1-carbonitrile (CID 91039047) is 4-ethenylidene-6-iminocyclohexene-1-carbonitrile.
What is the SMILES notation for 4-ethenylidene-6-iminocyclohexene-1-carbonitrile?
The canonical SMILES for 4-ethenylidene-6-iminocyclohexene-1-carbonitrile is [H]/N=C1\CC(=C=C)CC=C1C#N.
What is the InChIKey of 4-ethenylidene-6-iminocyclohexene-1-carbonitrile?
The InChIKey is KUPFLZGDHPRURN-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-7-3-4-8(6-10)9(11)5-7/h4,11H,1,3,5H2/b11-9+.
What are the key properties of 4-ethenylidene-6-iminocyclohexene-1-carbonitrile?
4-ethenylidene-6-iminocyclohexene-1-carbonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-6-iminocyclohexene-1-carbonitrile is sourced from PubChem (CID 91039047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).