5-butylnon-4-enenitrile

C13H23N — CID 134906632

IUPAC5-butylnon-4-enenitrile
SMILESCCCCC(=CCCC#N)CCCC
InChIInChI=1S/C13H23N/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h11H,3-10H2,1-2H3
InChIKeyIGWPYERPFLYXED-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.60
Rot. Bonds8

About 5-butylnon-4-enenitrile

5-butylnon-4-enenitrile (PubChem CID 134906632) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-butylnon-4-enenitrile.

Molecular Properties

Compound Name5-butylnon-4-enenitrile
PubChem CID134906632
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-butylnon-4-enenitrile
SMILESCCCCC(=CCCC#N)CCCC
InChIInChI=1S/C13H23N/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h11H,3-10H2,1-2H3
InChIKeyIGWPYERPFLYXED-UHFFFAOYSA-N
XLogP4.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.60
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 5-butylnon-4-enenitrile?
The IUPAC name of 5-butylnon-4-enenitrile (CID 134906632) is 5-butylnon-4-enenitrile.
What is the SMILES notation for 5-butylnon-4-enenitrile?
The canonical SMILES for 5-butylnon-4-enenitrile is CCCCC(=CCCC#N)CCCC.
What is the InChIKey of 5-butylnon-4-enenitrile?
The InChIKey is IGWPYERPFLYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h11H,3-10H2,1-2H3.
What are the key properties of 5-butylnon-4-enenitrile?
5-butylnon-4-enenitrile has a molecular weight of 193.33 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnon-4-enenitrile is sourced from PubChem (CID 134906632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).