2-ethyloct-7-enenitrile

C10H17N — CID 87482647

IUPAC2-ethyloct-7-enenitrile
SMILESC=CCCCCC(C#N)CC
InChIInChI=1S/C10H17N/c1-3-5-6-7-8-10(4-2)9-11/h3,10H,1,4-8H2,2H3
InChIKeyIKGNKTOKTDUONG-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.28
Rot. Bonds6

About 2-ethyloct-7-enenitrile

2-ethyloct-7-enenitrile (PubChem CID 87482647) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-ethyloct-7-enenitrile.

Molecular Properties

Compound Name2-ethyloct-7-enenitrile
PubChem CID87482647
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-ethyloct-7-enenitrile
SMILESC=CCCCCC(C#N)CC
InChIInChI=1S/C10H17N/c1-3-5-6-7-8-10(4-2)9-11/h3,10H,1,4-8H2,2H3
InChIKeyIKGNKTOKTDUONG-UHFFFAOYSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.28
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'}

Analyze 2-ethyloct-7-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylhexadec-15-enenitrile
CID 54387096
2-tributylstannyloct-7-enenitrile
CID 164521107
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
(2R)-2-hydroxyhept-6-enenitrile
CID 10654227
2-pent-4-enylpropanedinitrile
CID 131851760
8-chlorodec-1-ene
CID 64507974
2-ethylhept-5-enenitrile
CID 123154860
7-butylundec-1-ene
CID 174048295
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827
7-methoxynon-1-ene
CID 91435315

Frequently Asked Questions

What is the IUPAC name of 2-ethyloct-7-enenitrile?
The IUPAC name of 2-ethyloct-7-enenitrile (CID 87482647) is 2-ethyloct-7-enenitrile.
What is the SMILES notation for 2-ethyloct-7-enenitrile?
The canonical SMILES for 2-ethyloct-7-enenitrile is C=CCCCCC(C#N)CC.
What is the InChIKey of 2-ethyloct-7-enenitrile?
The InChIKey is IKGNKTOKTDUONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-6-7-8-10(4-2)9-11/h3,10H,1,4-8H2,2H3.
What are the key properties of 2-ethyloct-7-enenitrile?
2-ethyloct-7-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloct-7-enenitrile is sourced from PubChem (CID 87482647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).