2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile

C9H10N2 — CID 23458178

IUPAC2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile
SMILESC=C(C)C#N.C=C/C=C/C#N
InChIInChI=1S/C5H5N.C4H5N/c1-2-3-4-5-6;1-4(2)3-5/h2-4H,1H2;1H2,2H3/b4-3+;
InChIKeyUWVNMOSIDLIXJM-BJILWQEISA-N
MW146.19 g/mol
LogP2.34
Rot. Bonds1

About 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile

2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile (PubChem CID 23458178) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile.

Molecular Properties

Compound Name2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile
PubChem CID23458178
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile
SMILESC=C(C)C#N.C=C/C=C/C#N
InChIInChI=1S/C5H5N.C4H5N/c1-2-3-4-5-6;1-4(2)3-5/h2-4H,1H2;1H2,2H3/b4-3+;
InChIKeyUWVNMOSIDLIXJM-BJILWQEISA-N
XLogP2.34
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile?
The IUPAC name of 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile (CID 23458178) is 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile.
What is the SMILES notation for 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile?
The canonical SMILES for 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile is C=C(C)C#N.C=C/C=C/C#N.
What is the InChIKey of 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile?
The InChIKey is UWVNMOSIDLIXJM-BJILWQEISA-N. The full InChI is InChI=1S/C5H5N.C4H5N/c1-2-3-4-5-6;1-4(2)3-5/h2-4H,1H2;1H2,2H3/b4-3+;.
What are the key properties of 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile?
2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile has a molecular weight of 146.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enenitrile;(2E)-penta-2,4-dienenitrile is sourced from PubChem (CID 23458178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).