(Z)-2-ethylbut-2-enenitrile

C6H9N — CID 11029768

IUPAC(Z)-2-ethylbut-2-enenitrile
SMILESC/C=C(\C#N)CC
InChIInChI=1S/C6H9N/c1-3-6(4-2)5-7/h3H,4H2,1-2H3/b6-3-
InChIKeyZJPQPBRWBXBMRY-UTCJRWHESA-N
MW95.14 g/mol
LogP1.87
Rot. Bonds1

About (Z)-2-ethylbut-2-enenitrile

(Z)-2-ethylbut-2-enenitrile (PubChem CID 11029768) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (Z)-2-ethylbut-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-ethylbut-2-enenitrile
PubChem CID11029768
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(Z)-2-ethylbut-2-enenitrile
SMILESC/C=C(\C#N)CC
InChIInChI=1S/C6H9N/c1-3-6(4-2)5-7/h3H,4H2,1-2H3/b6-3-
InChIKeyZJPQPBRWBXBMRY-UTCJRWHESA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylbut-2-enenitrile?
The IUPAC name of (Z)-2-ethylbut-2-enenitrile (CID 11029768) is (Z)-2-ethylbut-2-enenitrile.
What is the SMILES notation for (Z)-2-ethylbut-2-enenitrile?
The canonical SMILES for (Z)-2-ethylbut-2-enenitrile is C/C=C(\C#N)CC.
What is the InChIKey of (Z)-2-ethylbut-2-enenitrile?
The InChIKey is ZJPQPBRWBXBMRY-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9N/c1-3-6(4-2)5-7/h3H,4H2,1-2H3/b6-3-.
What are the key properties of (Z)-2-ethylbut-2-enenitrile?
(Z)-2-ethylbut-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-ethylbut-2-enenitrile is sourced from PubChem (CID 11029768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).