(2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile

C15H16N2 — CID 164967406

IUPAC(2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(C#N)\C=c1\cc(C)c(C)nc1=C
InChIInChI=1S/C15H16N2/c1-10(2)6-14(9-16)8-15-7-11(3)12(4)17-13(15)5/h6-8H,1,5H2,2-4H3/b14-6+,15-8-
InChIKeyCQVQBJIUCOVKMK-PYIQRHLKSA-N
MW224.31 g/mol
LogP1.92
Rot. Bonds2

About (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile

(2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile (PubChem CID 164967406) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile
PubChem CID164967406
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name(2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(C#N)\C=c1\cc(C)c(C)nc1=C
InChIInChI=1S/C15H16N2/c1-10(2)6-14(9-16)8-15-7-11(3)12(4)17-13(15)5/h6-8H,1,5H2,2-4H3/b14-6+,15-8-
InChIKeyCQVQBJIUCOVKMK-PYIQRHLKSA-N
XLogP1.92
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-2-ethenyl-4-[1-[[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]ethenyl]hexa-2,4-dienenitrile
CID 144502043
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-3-methylbut-3-en-2-imine
CID 88948199
N-[(4E)-3-methylocta-1,2,4-trien-4-yl]propanimidoyl cyanide
CID 91044419
2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile
CID 91110057
(E)-3-methyl-5-[(3E)-2-methyl-5-methyliminohexa-1,3-dien-3-yl]iminohex-3-enenitrile
CID 91262022
(4E,8E)-2,5,6,9-tetramethyl-10-[[(Z)-2-methylhex-4-en-3-ylidene]amino]undeca-2,4,6,8,10-pentaenenitrile
CID 123221201
2,3-Dimethyl-5,6-dimethylidenepyridine
CID 123297259
N-(6-methylcyclohexa-1,5-dien-1-yl)butan-2-imine
CID 123462908
N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine
CID 123792921
(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine
CID 126548720
(3E,5Z)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-imine
CID 126661351
(3E)-3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hexa-3,5-dien-2-imine
CID 126661381

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile?
The IUPAC name of (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile (CID 164967406) is (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile is C=C(C)/C=C(C#N)\C=c1\cc(C)c(C)nc1=C.
What is the InChIKey of (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile?
The InChIKey is CQVQBJIUCOVKMK-PYIQRHLKSA-N. The full InChI is InChI=1S/C15H16N2/c1-10(2)6-14(9-16)8-15-7-11(3)12(4)17-13(15)5/h6-8H,1,5H2,2-4H3/b14-6+,15-8-.
What are the key properties of (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile?
(2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile has a molecular weight of 224.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(5,6-dimethyl-2-methylidene-3-pyridinylidene)methyl]-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 164967406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).