(Z)-2-methylidene-3-methyliminohex-4-enenitrile

C8H10N2 — CID 123452029

IUPAC(Z)-2-methylidene-3-methyliminohex-4-enenitrile
SMILESC=C(C#N)C(/C=C\C)=N\C
InChIInChI=1S/C8H10N2/c1-4-5-8(10-3)7(2)6-9/h4-5H,2H2,1,3H3/b5-4-,10-8-
InChIKeyDLMZPNBXNWYDRR-BXPWTJTASA-N
MW134.18 g/mol
LogP1.71
Rot. Bonds2

About (Z)-2-methylidene-3-methyliminohex-4-enenitrile

(Z)-2-methylidene-3-methyliminohex-4-enenitrile (PubChem CID 123452029) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (Z)-2-methylidene-3-methyliminohex-4-enenitrile.

Molecular Properties

Compound Name(Z)-2-methylidene-3-methyliminohex-4-enenitrile
PubChem CID123452029
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(Z)-2-methylidene-3-methyliminohex-4-enenitrile
SMILESC=C(C#N)C(/C=C\C)=N\C
InChIInChI=1S/C8H10N2/c1-4-5-8(10-3)7(2)6-9/h4-5H,2H2,1,3H3/b5-4-,10-8-
InChIKeyDLMZPNBXNWYDRR-BXPWTJTASA-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

3-Fluoro-7-methyliminocyclohepta-1,5-diene-1-carbonitrile
CID 123939725
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
[(7Z)-8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
CID 59086722
[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
CID 72512162
N,2-dimethylhexa-1,4-dien-3-imine
CID 90892496
2,2-Dimethyl-3-methyliminohex-4-enenitrile
CID 91338500
3,7-Dimethyl-4-methyliminocyclohepta-2,5-diene-1-carbonitrile
CID 91388424
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
CID 123206281
(5Z)-N,3-dimethylhepta-2,5-dien-4-imine
CID 123251903
(E)-2-(C,N-dimethylcarbonimidoyl)hept-2-enenitrile
CID 123328094

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylidene-3-methyliminohex-4-enenitrile?
The IUPAC name of (Z)-2-methylidene-3-methyliminohex-4-enenitrile (CID 123452029) is (Z)-2-methylidene-3-methyliminohex-4-enenitrile.
What is the SMILES notation for (Z)-2-methylidene-3-methyliminohex-4-enenitrile?
The canonical SMILES for (Z)-2-methylidene-3-methyliminohex-4-enenitrile is C=C(C#N)C(/C=C\C)=N\C.
What is the InChIKey of (Z)-2-methylidene-3-methyliminohex-4-enenitrile?
The InChIKey is DLMZPNBXNWYDRR-BXPWTJTASA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-8(10-3)7(2)6-9/h4-5H,2H2,1,3H3/b5-4-,10-8-.
What are the key properties of (Z)-2-methylidene-3-methyliminohex-4-enenitrile?
(Z)-2-methylidene-3-methyliminohex-4-enenitrile 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 (Z)-2-methylidene-3-methyliminohex-4-enenitrile is sourced from PubChem (CID 123452029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).