(E)-dec-4-enenitrile

C10H17N — CID 88850530

IUPAC(E)-dec-4-enenitrile
SMILESCCCCC/C=C/CCC#N
InChIInChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyASFOYSVBKNOGHZ-VOTSOKGWSA-N
MW151.25 g/mol
LogP3.43
Rot. Bonds6

About (E)-dec-4-enenitrile

(E)-dec-4-enenitrile (PubChem CID 88850530) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-dec-4-enenitrile.

Molecular Properties

Compound Name(E)-dec-4-enenitrile
PubChem CID88850530
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-dec-4-enenitrile
SMILESCCCCC/C=C/CCC#N
InChIInChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyASFOYSVBKNOGHZ-VOTSOKGWSA-N
XLogP3.43
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 ≤ 53.43
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

(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
(E)-(111C)non-4-enenitrile
CID 10103223
octadec-6-enenitrile
CID 54098739
trideca-4,10-dienenitrile
CID 131746236
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
(E)-dodec-8-enenitrile
CID 101282237
(Z)-pentadec-3-enenitrile
CID 139591512
3-[(E)-pentadec-4-enoxy]propanenitrile
CID 101282700
3-[(E)-tridec-6-enoxy]propanenitrile
CID 101282677
hept-4-enenitrile
CID 54322660
3-[(E)-tridec-2-enoxy]propanenitrile
CID 101282673
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648

Frequently Asked Questions

What is the IUPAC name of (E)-dec-4-enenitrile?
The IUPAC name of (E)-dec-4-enenitrile (CID 88850530) is (E)-dec-4-enenitrile.
What is the SMILES notation for (E)-dec-4-enenitrile?
The canonical SMILES for (E)-dec-4-enenitrile is CCCCC/C=C/CCC#N.
What is the InChIKey of (E)-dec-4-enenitrile?
The InChIKey is ASFOYSVBKNOGHZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h6-7H,2-5,8-9H2,1H3/b7-6+.
What are the key properties of (E)-dec-4-enenitrile?
(E)-dec-4-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dec-4-enenitrile is sourced from PubChem (CID 88850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).