(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile

C7H9NO — CID 146420501

IUPAC(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile
SMILESC=C/C(OC)=C(\C)C#N
InChIInChI=1S/C7H9NO/c1-4-7(9-3)6(2)5-8/h4H,1H2,2-3H3/b7-6-
InChIKeyIJLUWCGCPLYJEO-SREVYHEPSA-N
MW123.15 g/mol
LogP1.62
Rot. Bonds2

About (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile

(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile (PubChem CID 146420501) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile
PubChem CID146420501
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile
SMILESC=C/C(OC)=C(\C)C#N
InChIInChI=1S/C7H9NO/c1-4-7(9-3)6(2)5-8/h4H,1H2,2-3H3/b7-6-
InChIKeyIJLUWCGCPLYJEO-SREVYHEPSA-N
XLogP1.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile?
The IUPAC name of (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile (CID 146420501) is (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile is C=C/C(OC)=C(\C)C#N.
What is the InChIKey of (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile?
The InChIKey is IJLUWCGCPLYJEO-SREVYHEPSA-N. The full InChI is InChI=1S/C7H9NO/c1-4-7(9-3)6(2)5-8/h4H,1H2,2-3H3/b7-6-.
What are the key properties of (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile?
(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile has a molecular weight of 123.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 146420501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).