(4E,7Z)-trideca-4,7-dienenitrile

C13H21N — CID 14381080

IUPAC(4E,7Z)-trideca-4,7-dienenitrile
SMILESCCCCC/C=C\C/C=C/CCC#N
InChIInChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-10H,2-5,8,11-12H2,1H3/b7-6-,10-9+
InChIKeyGOJHHQPIADVAPR-IXWMQOLASA-N
MW191.32 g/mol
LogP4.37
Rot. Bonds8

About (4E,7Z)-trideca-4,7-dienenitrile

(4E,7Z)-trideca-4,7-dienenitrile (PubChem CID 14381080) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (4E,7Z)-trideca-4,7-dienenitrile.

Molecular Properties

Compound Name(4E,7Z)-trideca-4,7-dienenitrile
PubChem CID14381080
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(4E,7Z)-trideca-4,7-dienenitrile
SMILESCCCCC/C=C\C/C=C/CCC#N
InChIInChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-10H,2-5,8,11-12H2,1H3/b7-6-,10-9+
InChIKeyGOJHHQPIADVAPR-IXWMQOLASA-N
XLogP4.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.37
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

(E)-dec-4-enenitrile
CID 88850530
(E)-(111C)non-4-enenitrile
CID 10103223
octadec-6-enenitrile
CID 54098739
trideca-4,10-dienenitrile
CID 131746236
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
tetradeca-5,8-dien-1-yne
CID 140824336
(3E,5E,8E)-tetradeca-3,5,8-trienenitrile
CID 101282497
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-trideca-4,7-dienenitrile?
The IUPAC name of (4E,7Z)-trideca-4,7-dienenitrile (CID 14381080) is (4E,7Z)-trideca-4,7-dienenitrile.
What is the SMILES notation for (4E,7Z)-trideca-4,7-dienenitrile?
The canonical SMILES for (4E,7Z)-trideca-4,7-dienenitrile is CCCCC/C=C\C/C=C/CCC#N.
What is the InChIKey of (4E,7Z)-trideca-4,7-dienenitrile?
The InChIKey is GOJHHQPIADVAPR-IXWMQOLASA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-10H,2-5,8,11-12H2,1H3/b7-6-,10-9+.
What are the key properties of (4E,7Z)-trideca-4,7-dienenitrile?
(4E,7Z)-trideca-4,7-dienenitrile has a molecular weight of 191.32 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-trideca-4,7-dienenitrile is sourced from PubChem (CID 14381080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).