(E)-non-2-enenitrile

C9H15N — CID 5363118

IUPAC(E)-non-2-enenitrile
SMILESCCCCCC/C=C/C#N
InChIInChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7+
InChIKeyWOVJAWMZNOWDII-BQYQJAHWSA-N
MW137.23 g/mol
LogP3.04
Rot. Bonds5

About (E)-non-2-enenitrile

(E)-non-2-enenitrile (PubChem CID 5363118) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (E)-non-2-enenitrile.

Molecular Properties

Compound Name(E)-non-2-enenitrile
PubChem CID5363118
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(E)-non-2-enenitrile
SMILESCCCCCC/C=C/C#N
InChIInChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7+
InChIKeyWOVJAWMZNOWDII-BQYQJAHWSA-N
XLogP3.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-non-2-enenitrile?
The IUPAC name of (E)-non-2-enenitrile (CID 5363118) is (E)-non-2-enenitrile.
What is the SMILES notation for (E)-non-2-enenitrile?
The canonical SMILES for (E)-non-2-enenitrile is CCCCCC/C=C/C#N.
What is the InChIKey of (E)-non-2-enenitrile?
The InChIKey is WOVJAWMZNOWDII-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-non-2-enenitrile?
(E)-non-2-enenitrile has a molecular weight of 137.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-2-enenitrile is sourced from PubChem (CID 5363118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).