2-methylidenepent-3-enenitrile

C6H7N — CID 54296709

IUPAC2-methylidenepent-3-enenitrile
SMILESC=C(C#N)C=CC
InChIInChI=1S/C6H7N/c1-3-4-6(2)5-7/h3-4H,2H2,1H3
InChIKeySBGVBOQUFHAXDA-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.64
Rot. Bonds1

About 2-methylidenepent-3-enenitrile

2-methylidenepent-3-enenitrile (PubChem CID 54296709) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-methylidenepent-3-enenitrile.

Molecular Properties

Compound Name2-methylidenepent-3-enenitrile
PubChem CID54296709
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-methylidenepent-3-enenitrile
SMILESC=C(C#N)C=CC
InChIInChI=1S/C6H7N/c1-3-4-6(2)5-7/h3-4H,2H2,1H3
InChIKeySBGVBOQUFHAXDA-UHFFFAOYSA-N
XLogP1.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-methylidenepent-3-enenitrile?
The IUPAC name of 2-methylidenepent-3-enenitrile (CID 54296709) is 2-methylidenepent-3-enenitrile.
What is the SMILES notation for 2-methylidenepent-3-enenitrile?
The canonical SMILES for 2-methylidenepent-3-enenitrile is C=C(C#N)C=CC.
What is the InChIKey of 2-methylidenepent-3-enenitrile?
The InChIKey is SBGVBOQUFHAXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-3-4-6(2)5-7/h3-4H,2H2,1H3.
What are the key properties of 2-methylidenepent-3-enenitrile?
2-methylidenepent-3-enenitrile has a molecular weight of 93.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepent-3-enenitrile is sourced from PubChem (CID 54296709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).