2-Methoxy-4-methylpenta-2,4-dienenitrile

C7H9NO — CID 54546329

IUPAC2-methoxy-4-methylpenta-2,4-dienenitrile
SMILESCC(=C)C=C(C#N)OC
InChIInChI=1S/C7H9NO/c1-6(2)4-7(5-8)9-3/h4H,1H2,2-3H3
InChIKeyZGTUEIQLGQHQQC-UHFFFAOYSA-N
MW123.15 g/mol
LogP2.00
Rot. Bonds2

About 2-Methoxy-4-methylpenta-2,4-dienenitrile

2-Methoxy-4-methylpenta-2,4-dienenitrile (PubChem CID 54546329) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methoxy-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name2-Methoxy-4-methylpenta-2,4-dienenitrile
PubChem CID54546329
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methoxy-4-methylpenta-2,4-dienenitrile
SMILESCC(=C)C=C(C#N)OC
InChIInChI=1S/C7H9NO/c1-6(2)4-7(5-8)9-3/h4H,1H2,2-3H3
InChIKeyZGTUEIQLGQHQQC-UHFFFAOYSA-N
XLogP2.00
TPSA33.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity182

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran
CID 119915
(3Z,5Z)-5-fluoro-6-methoxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
CID 163861193
(Z)-3-methoxypent-2-enenitrile
CID 10329265
2-((E)-3-Ethoxy-2-methyl-allylidene)-malononitrile
CID 12919734
(2Z)-2-methoxy-4-methylpenta-2,4-dienenitrile
CID 13813251
2-(2,6-Dimethylpyran-4-ylidene)acetonitrile
CID 17798489
(2E)-2-(2-methylpyran-4-ylidene)acetonitrile
CID 18423751
2-[(2Z)-2-(ethoxymethylidene)butylidene]propanedinitrile
CID 21690648
Ethoxymethylene-glutacononitrile
CID 53803557
1,1-Dicyano-4-ethoxy-3-methyl-1,3-butadiene
CID 54261024
2-[2-(Ethoxymethylidene)butylidene]propanedinitrile
CID 54428448
2-(2-Methylpyran-4-ylidene)acetonitrile
CID 54520607

Frequently Asked Questions

What is the IUPAC name of 2-Methoxy-4-methylpenta-2,4-dienenitrile?
The IUPAC name of 2-Methoxy-4-methylpenta-2,4-dienenitrile (CID 54546329) is 2-methoxy-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for 2-Methoxy-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for 2-Methoxy-4-methylpenta-2,4-dienenitrile is CC(=C)C=C(C#N)OC.
What is the InChIKey of 2-Methoxy-4-methylpenta-2,4-dienenitrile?
The InChIKey is ZGTUEIQLGQHQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(2)4-7(5-8)9-3/h4H,1H2,2-3H3.
What are the key properties of 2-Methoxy-4-methylpenta-2,4-dienenitrile?
2-Methoxy-4-methylpenta-2,4-dienenitrile has a molecular weight of 123.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methoxy-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 54546329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).