(E)-tridec-11-enenitrile

C13H23N — CID 101282243

IUPAC(E)-tridec-11-enenitrile
SMILESC/C=C/CCCCCCCCCC#N
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-3H,4-12H2,1H3/b3-2+
InChIKeyFPHRUHZXLFVZLS-NSCUHMNNSA-N
MW193.33 g/mol
LogP4.60
Rot. Bonds9

About (E)-tridec-11-enenitrile

(E)-tridec-11-enenitrile (PubChem CID 101282243) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (E)-tridec-11-enenitrile.

Molecular Properties

Compound Name(E)-tridec-11-enenitrile
PubChem CID101282243
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(E)-tridec-11-enenitrile
SMILESC/C=C/CCCCCCCCCC#N
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-3H,4-12H2,1H3/b3-2+
InChIKeyFPHRUHZXLFVZLS-NSCUHMNNSA-N
XLogP4.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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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Related Compounds

(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
CID 101282565
3-[[(E)-non-7-enyl]amino]propanenitrile
CID 101282852
(E)-dodec-8-enenitrile
CID 101282237
octadec-6-enenitrile
CID 54098739
(E)-dec-7-enenitrile
CID 88850471
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
icosa-2,10,18-triene
CID 74063823
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
(2E,8E)-deca-2,8-dienenitrile
CID 129206584
3-[[di(propan-2-yl)amino]-hexadec-14-enoxyphosphanyl]propanenitrile
CID 91391346
henicosanedinitrile
CID 87345062

Frequently Asked Questions

What is the IUPAC name of (E)-tridec-11-enenitrile?
The IUPAC name of (E)-tridec-11-enenitrile (CID 101282243) is (E)-tridec-11-enenitrile.
What is the SMILES notation for (E)-tridec-11-enenitrile?
The canonical SMILES for (E)-tridec-11-enenitrile is C/C=C/CCCCCCCCCC#N.
What is the InChIKey of (E)-tridec-11-enenitrile?
The InChIKey is FPHRUHZXLFVZLS-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-3H,4-12H2,1H3/b3-2+.
What are the key properties of (E)-tridec-11-enenitrile?
(E)-tridec-11-enenitrile has a molecular weight of 193.33 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-11-enenitrile is sourced from PubChem (CID 101282243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).