(E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile

C10H15NO — CID 158127375

IUPAC(E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile
SMILESC=C(OC)/C(C#N)=C/C(C)(C)C
InChIInChI=1S/C10H15NO/c1-8(12-5)9(7-11)6-10(2,3)4/h6H,1H2,2-5H3/b9-6+
InChIKeyVJVVESHDOCGDMA-RMKNXTFCSA-N
MW165.24 g/mol
LogP2.64
Rot. Bonds2

About (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile

(E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile (PubChem CID 158127375) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile
PubChem CID158127375
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile
SMILESC=C(OC)/C(C#N)=C/C(C)(C)C
InChIInChI=1S/C10H15NO/c1-8(12-5)9(7-11)6-10(2,3)4/h6H,1H2,2-5H3/b9-6+
InChIKeyVJVVESHDOCGDMA-RMKNXTFCSA-N
XLogP2.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.64
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 (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile?
The IUPAC name of (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile (CID 158127375) is (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile.
What is the SMILES notation for (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile?
The canonical SMILES for (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile is C=C(OC)/C(C#N)=C/C(C)(C)C.
What is the InChIKey of (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile?
The InChIKey is VJVVESHDOCGDMA-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(12-5)9(7-11)6-10(2,3)4/h6H,1H2,2-5H3/b9-6+.
What are the key properties of (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile?
(E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-methoxyethenyl)-4,4-dimethylpent-2-enenitrile is sourced from PubChem (CID 158127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).