(E)-but-2-enenitrile;2-methylprop-2-enenitrile

C8H10N2 — CID 19418407

IUPAC(E)-but-2-enenitrile;2-methylprop-2-enenitrile
SMILESC/C=C/C#N.C=C(C)C#N
InChIInChI=1S/2C4H5N/c1-4(2)3-5;1-2-3-4-5/h1H2,2H3;2-3H,1H3/b;3-2+
InChIKeyWQNGAEUXAGTMER-ZPYUXNTASA-N
MW134.18 g/mol
LogP2.17
Rot. Bonds

About (E)-but-2-enenitrile;2-methylprop-2-enenitrile

(E)-but-2-enenitrile;2-methylprop-2-enenitrile (PubChem CID 19418407) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (E)-but-2-enenitrile;2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-but-2-enenitrile;2-methylprop-2-enenitrile
PubChem CID19418407
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(E)-but-2-enenitrile;2-methylprop-2-enenitrile
SMILESC/C=C/C#N.C=C(C)C#N
InChIInChI=1S/2C4H5N/c1-4(2)3-5;1-2-3-4-5/h1H2,2H3;2-3H,1H3/b;3-2+
InChIKeyWQNGAEUXAGTMER-ZPYUXNTASA-N
XLogP2.17
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enenitrile;2-methylprop-2-enenitrile?
The IUPAC name of (E)-but-2-enenitrile;2-methylprop-2-enenitrile (CID 19418407) is (E)-but-2-enenitrile;2-methylprop-2-enenitrile.
What is the SMILES notation for (E)-but-2-enenitrile;2-methylprop-2-enenitrile?
The canonical SMILES for (E)-but-2-enenitrile;2-methylprop-2-enenitrile is C/C=C/C#N.C=C(C)C#N.
What is the InChIKey of (E)-but-2-enenitrile;2-methylprop-2-enenitrile?
The InChIKey is WQNGAEUXAGTMER-ZPYUXNTASA-N. The full InChI is InChI=1S/2C4H5N/c1-4(2)3-5;1-2-3-4-5/h1H2,2H3;2-3H,1H3/b;3-2+.
What are the key properties of (E)-but-2-enenitrile;2-methylprop-2-enenitrile?
(E)-but-2-enenitrile;2-methylprop-2-enenitrile has a molecular weight of 134.18 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enenitrile;2-methylprop-2-enenitrile is sourced from PubChem (CID 19418407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).