2-propyldec-7-enenitrile

C13H23N — CID 123847297

IUPAC2-propyldec-7-enenitrile
SMILESCCC=CCCCCC(C#N)CCC
InChIInChI=1S/C13H23N/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyWYIYBHFETHLJMB-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.45
Rot. Bonds8

About 2-propyldec-7-enenitrile

2-propyldec-7-enenitrile (PubChem CID 123847297) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-propyldec-7-enenitrile.

Molecular Properties

Compound Name2-propyldec-7-enenitrile
PubChem CID123847297
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-propyldec-7-enenitrile
SMILESCCC=CCCCCC(C#N)CCC
InChIInChI=1S/C13H23N/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyWYIYBHFETHLJMB-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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

2-oct-2-enyldodecanenitrile
CID 54070716
(Z)-non-6-ene-1,1-diol
CID 170555028
(Z)-2-methylnon-6-enenitrile
CID 10773147
(E)-dec-7-enenitrile
CID 88850471
2-octyldodecanenitrile
CID 87721815
2-octadecylicosanenitrile
CID 89491101
(E)-2-propyldec-7-en-1-ol
CID 23074704
2-methyltetracos-20-enenitrile
CID 175156352
(E)-non-3-ene
CID 5364445
trideca-4,10-dienenitrile
CID 131746236
(2E,8Z)-undeca-2,8-dienenitrile
CID 129206614
10-methylundec-3-ene
CID 544769

Frequently Asked Questions

What is the IUPAC name of 2-propyldec-7-enenitrile?
The IUPAC name of 2-propyldec-7-enenitrile (CID 123847297) is 2-propyldec-7-enenitrile.
What is the SMILES notation for 2-propyldec-7-enenitrile?
The canonical SMILES for 2-propyldec-7-enenitrile is CCC=CCCCCC(C#N)CCC.
What is the InChIKey of 2-propyldec-7-enenitrile?
The InChIKey is WYIYBHFETHLJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h5-6,13H,3-4,7-11H2,1-2H3.
What are the key properties of 2-propyldec-7-enenitrile?
2-propyldec-7-enenitrile has a molecular weight of 193.33 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyldec-7-enenitrile is sourced from PubChem (CID 123847297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).