(2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile

C13H19NO — CID 143445458

IUPAC(2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile
SMILESC=C(/C=C\C=C(/C)C#N)C(CC)COC
InChIInChI=1S/C13H19NO/c1-5-13(10-15-4)12(3)8-6-7-11(2)9-14/h6-8,13H,3,5,10H2,1-2,4H3/b8-6-,11-7+
InChIKeyCJMMUOLUQCXQEK-FAWHLJIPSA-N
MW205.30 g/mol
LogP3.24
Rot. Bonds6

About (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile

(2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile (PubChem CID 143445458) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile
PubChem CID143445458
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile
SMILESC=C(/C=C\C=C(/C)C#N)C(CC)COC
InChIInChI=1S/C13H19NO/c1-5-13(10-15-4)12(3)8-6-7-11(2)9-14/h6-8,13H,3,5,10H2,1-2,4H3/b8-6-,11-7+
InChIKeyCJMMUOLUQCXQEK-FAWHLJIPSA-N
XLogP3.24
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.24
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,4Z)-2-methylhepta-2,4,6-trienenitrile;propane
CID 144521597
ethane;(2E,4Z)-2-methylhepta-2,4,6-trienenitrile
CID 143068886
(2E,4E)-2-methylhexa-2,4-dienedinitrile
CID 12698506
(2E,4Z)-2,6-dimethylhepta-2,4-dienenitrile;ethane
CID 142548648
(2E,4Z)-4-ethyl-2-methylhepta-2,4,6-trienenitrile
CID 143284376
(2E,4E)-5-fluoro-2-methylhepta-2,4-dienenitrile
CID 176963287
3-ethyl-6-methoxy-5-methyl-4-oxohexanenitrile
CID 116502465
2-[[(1E,3Z)-4-cyanopenta-1,3-dienyl]-methylamino]ethyl prop-2-enoate
CID 89168332
(2E,4E)-5-hydroxy-2-methylhexa-2,4-dienenitrile
CID 167184746
(Z)-2-methylpent-2-enenitrile
CID 5352199
3-amino-4-ethyl-2-methylhex-2-enenitrile
CID 57358235
(2E,4E)-5-fluoro-2-methylhexa-2,4-dienenitrile
CID 89404265

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile (CID 143445458) is (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile is C=C(/C=C\C=C(/C)C#N)C(CC)COC.
What is the InChIKey of (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile?
The InChIKey is CJMMUOLUQCXQEK-FAWHLJIPSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-13(10-15-4)12(3)8-6-7-11(2)9-14/h6-8,13H,3,5,10H2,1-2,4H3/b8-6-,11-7+.
What are the key properties of (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile?
(2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile has a molecular weight of 205.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7-(methoxymethyl)-2-methyl-6-methylidenenona-2,4-dienenitrile is sourced from PubChem (CID 143445458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).