(Z)-oct-5-enenitrile

C8H13N — CID 15824509

IUPAC(Z)-oct-5-enenitrile
SMILESCC/C=C\CCCC#N
InChIInChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h3-4H,2,5-7H2,1H3/b4-3-
InChIKeySRCCKXJHUWKHAS-ARJAWSKDSA-N
MW123.20 g/mol
LogP2.65
Rot. Bonds4

About (Z)-oct-5-enenitrile

(Z)-oct-5-enenitrile (PubChem CID 15824509) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (Z)-oct-5-enenitrile.

Molecular Properties

Compound Name(Z)-oct-5-enenitrile
PubChem CID15824509
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(Z)-oct-5-enenitrile
SMILESCC/C=C\CCCC#N
InChIInChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h3-4H,2,5-7H2,1H3/b4-3-
InChIKeySRCCKXJHUWKHAS-ARJAWSKDSA-N
XLogP2.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-oct-5-enenitrile?
The IUPAC name of (Z)-oct-5-enenitrile (CID 15824509) is (Z)-oct-5-enenitrile.
What is the SMILES notation for (Z)-oct-5-enenitrile?
The canonical SMILES for (Z)-oct-5-enenitrile is CC/C=C\CCCC#N.
What is the InChIKey of (Z)-oct-5-enenitrile?
The InChIKey is SRCCKXJHUWKHAS-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h3-4H,2,5-7H2,1H3/b4-3-.
What are the key properties of (Z)-oct-5-enenitrile?
(Z)-oct-5-enenitrile has a molecular weight of 123.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-5-enenitrile is sourced from PubChem (CID 15824509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).