oct-7-enenitrile

C8H13N — CID 10909562

IUPACoct-7-enenitrile
SMILESC=CCCCCCC#N
InChIInChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h2H,1,3-7H2
InChIKeyOXOUJUXDEZZIEF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.65
Rot. Bonds5

About oct-7-enenitrile

oct-7-enenitrile (PubChem CID 10909562) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is oct-7-enenitrile.

Molecular Properties

Compound Nameoct-7-enenitrile
PubChem CID10909562
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Nameoct-7-enenitrile
SMILESC=CCCCCCC#N
InChIInChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h2H,1,3-7H2
InChIKeyOXOUJUXDEZZIEF-UHFFFAOYSA-N
XLogP2.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

prop-2-enoic acid;undec-10-enenitrile
CID 118123784
tetradeca-4,13-dienenitrile
CID 76548823
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
heptacosa-1,26-diene
CID 58905535
henicosanedinitrile
CID 87345062
heptadeca-1,16-diene
CID 6429392
3-(hex-5-enylamino)propanenitrile
CID 101282809
20-oxoicosanenitrile
CID 54108861
deca-1,9-diene;deca-1,9-diyne
CID 167656021
(3Z)-trideca-3,12-dienenitrile
CID 57495068
butyl prop-2-enoate;undec-10-enenitrile
CID 86725080
4-but-3-enylsulfanylbutanenitrile
CID 126992432

Frequently Asked Questions

What is the IUPAC name of oct-7-enenitrile?
The IUPAC name of oct-7-enenitrile (CID 10909562) is oct-7-enenitrile.
What is the SMILES notation for oct-7-enenitrile?
The canonical SMILES for oct-7-enenitrile is C=CCCCCCC#N.
What is the InChIKey of oct-7-enenitrile?
The InChIKey is OXOUJUXDEZZIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h2H,1,3-7H2.
What are the key properties of oct-7-enenitrile?
oct-7-enenitrile has a molecular weight of 123.20 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enenitrile is sourced from PubChem (CID 10909562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).