(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile

C10H14N2 — CID 123919888

IUPAC(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
SMILESC/C=C(C#N)\C(C=C(C)C)=N\C
InChIInChI=1S/C10H14N2/c1-5-9(7-11)10(12-4)6-8(2)3/h5-6H,1-4H3/b9-5-,12-10+
InChIKeyXGVVKAWFJHNSIM-VVVIWDQOSA-N
MW162.24 g/mol
LogP2.49
Rot. Bonds2

About (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile

(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile (PubChem CID 123919888) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile.

Molecular Properties

Compound Name(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
PubChem CID123919888
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
SMILESC/C=C(C#N)\C(C=C(C)C)=N\C
InChIInChI=1S/C10H14N2/c1-5-9(7-11)10(12-4)6-8(2)3/h5-6H,1-4H3/b9-5-,12-10+
InChIKeyXGVVKAWFJHNSIM-VVVIWDQOSA-N
XLogP2.49
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.49
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
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
CID 72512162
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
(E)-2-(C,N-dimethylcarbonimidoyl)hept-2-enenitrile
CID 123328094
2,6-Dimethyl-2,3-dihydropyridine-3,5-dicarbonitrile
CID 123442377
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile?
The IUPAC name of (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile (CID 123919888) is (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile.
What is the SMILES notation for (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile?
The canonical SMILES for (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile is C/C=C(C#N)\C(C=C(C)C)=N\C.
What is the InChIKey of (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile?
The InChIKey is XGVVKAWFJHNSIM-VVVIWDQOSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-9(7-11)10(12-4)6-8(2)3/h5-6H,1-4H3/b9-5-,12-10+.
What are the key properties of (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile?
(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile is sourced from PubChem (CID 123919888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).