(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile

C8H10N2 — CID 123676535

IUPAC(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
SMILESC=CC(/C=C(\C)C#N)=N\C
InChIInChI=1S/C8H10N2/c1-4-8(10-3)5-7(2)6-9/h4-5H,1H2,2-3H3/b7-5+,10-8+
InChIKeyWGJXBMNNXXAOFN-RMTFUQJTSA-N
MW134.18 g/mol
LogP1.71
Rot. Bonds2

About (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile

(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile (PubChem CID 123676535) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile.

Molecular Properties

Compound Name(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
PubChem CID123676535
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
SMILESC=CC(/C=C(\C)C#N)=N\C
InChIInChI=1S/C8H10N2/c1-4-8(10-3)5-7(2)6-9/h4-5H,1H2,2-3H3/b7-5+,10-8+
InChIKeyWGJXBMNNXXAOFN-RMTFUQJTSA-N
XLogP1.71
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.71
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'}

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Related Compounds

(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile
CID 123821610
3-Fluoro-7-methyliminocyclohepta-1,5-diene-1-carbonitrile
CID 123939725
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
4-Methyliminopent-2-enedinitrile
CID 5368434
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
(E)-N,4-dimethylhex-3-en-2-imine
CID 89965377
N,4-dimethylhex-3-en-2-imine
CID 91494846
N-ethylbut-2-enimidoyl cyanide
CID 91608759
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
N-(2-methylpropyl)but-2-enimidoyl cyanide
CID 123165582
N,3-dimethylhepta-3,6-dien-2-imine
CID 123241993

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile?
The IUPAC name of (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile (CID 123676535) is (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile.
What is the SMILES notation for (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile?
The canonical SMILES for (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile is C=CC(/C=C(\C)C#N)=N\C.
What is the InChIKey of (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile?
The InChIKey is WGJXBMNNXXAOFN-RMTFUQJTSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-8(10-3)5-7(2)6-9/h4-5H,1H2,2-3H3/b7-5+,10-8+.
What are the key properties of (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile?
(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile has a molecular weight of 134.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile is sourced from PubChem (CID 123676535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).