(Z)-2-methylpent-2-enenitrile

C6H9N — CID 5352199

IUPAC(Z)-2-methylpent-2-enenitrile
SMILESCC/C=C(/C)C#N
InChIInChI=1S/C6H9N/c1-3-4-6(2)5-7/h4H,3H2,1-2H3/b6-4-
InChIKeyMLPZAALXVQOBFB-XQRVVYSFSA-N
MW95.14 g/mol
LogP1.87
Rot. Bonds1

About (Z)-2-methylpent-2-enenitrile

(Z)-2-methylpent-2-enenitrile (PubChem CID 5352199) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (Z)-2-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-methylpent-2-enenitrile
PubChem CID5352199
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(Z)-2-methylpent-2-enenitrile
SMILESCC/C=C(/C)C#N
InChIInChI=1S/C6H9N/c1-3-4-6(2)5-7/h4H,3H2,1-2H3/b6-4-
InChIKeyMLPZAALXVQOBFB-XQRVVYSFSA-N
XLogP1.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-hydroxy-2-methylpent-2-enenitrile
CID 14266437
2-methylicos-2-enenitrile
CID 175504471
(2Z)-2,6-dimethylhepta-2,5-dienenitrile
CID 134917311
4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile
CID 91036112
(Z)-2-hydroxypent-2-enenitrile
CID 19939991
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
2,8-dimethylnona-2,7-dienenitrile
CID 162785101
2-(3-methylbut-2-en-2-yl)pent-2-enenitrile
CID 123508857
(Z)-2-aminopent-2-enenitrile
CID 21160287
(E)-2-ethylpent-2-enenitrile
CID 5358335
(E)-2-acetylpent-2-enenitrile;ethane
CID 145095294
(Z)-2-formylpent-2-enenitrile
CID 166820774

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylpent-2-enenitrile?
The IUPAC name of (Z)-2-methylpent-2-enenitrile (CID 5352199) is (Z)-2-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-methylpent-2-enenitrile?
The canonical SMILES for (Z)-2-methylpent-2-enenitrile is CC/C=C(/C)C#N.
What is the InChIKey of (Z)-2-methylpent-2-enenitrile?
The InChIKey is MLPZAALXVQOBFB-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H9N/c1-3-4-6(2)5-7/h4H,3H2,1-2H3/b6-4-.
What are the key properties of (Z)-2-methylpent-2-enenitrile?
(Z)-2-methylpent-2-enenitrile has a molecular weight of 95.14 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylpent-2-enenitrile is sourced from PubChem (CID 5352199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).