7-methylnon-4-enenitrile

C10H17N — CID 123692329

IUPAC7-methylnon-4-enenitrile
SMILESCCC(C)CC=CCCC#N
InChIInChI=1S/C10H17N/c1-3-10(2)8-6-4-5-7-9-11/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeyQEPHUOVZEBRPLO-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.28
Rot. Bonds5

About 7-methylnon-4-enenitrile

7-methylnon-4-enenitrile (PubChem CID 123692329) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 7-methylnon-4-enenitrile.

Molecular Properties

Compound Name7-methylnon-4-enenitrile
PubChem CID123692329
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name7-methylnon-4-enenitrile
SMILESCCC(C)CC=CCCC#N
InChIInChI=1S/C10H17N/c1-3-10(2)8-6-4-5-7-9-11/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeyQEPHUOVZEBRPLO-UHFFFAOYSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylnon-4-enenitrile?
The IUPAC name of 7-methylnon-4-enenitrile (CID 123692329) is 7-methylnon-4-enenitrile.
What is the SMILES notation for 7-methylnon-4-enenitrile?
The canonical SMILES for 7-methylnon-4-enenitrile is CCC(C)CC=CCCC#N.
What is the InChIKey of 7-methylnon-4-enenitrile?
The InChIKey is QEPHUOVZEBRPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(2)8-6-4-5-7-9-11/h4,6,10H,3,5,7-8H2,1-2H3.
What are the key properties of 7-methylnon-4-enenitrile?
7-methylnon-4-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnon-4-enenitrile is sourced from PubChem (CID 123692329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).