(E)-tridec-2-enenitrile

C13H23N — CID 6538105

IUPAC(E)-tridec-2-enenitrile
SMILESCCCCCCCCCC/C=C/C#N
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3/b12-11+
InChIKeyWKSPQBFDRTUGEF-VAWYXSNFSA-N
MW193.33 g/mol
LogP4.60
Rot. Bonds9

About (E)-tridec-2-enenitrile

(E)-tridec-2-enenitrile (PubChem CID 6538105) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (E)-tridec-2-enenitrile.

Molecular Properties

Compound Name(E)-tridec-2-enenitrile
PubChem CID6538105
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(E)-tridec-2-enenitrile
SMILESCCCCCCCCCC/C=C/C#N
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3/b12-11+
InChIKeyWKSPQBFDRTUGEF-VAWYXSNFSA-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': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-tridec-2-enenitrile?
The IUPAC name of (E)-tridec-2-enenitrile (CID 6538105) is (E)-tridec-2-enenitrile.
What is the SMILES notation for (E)-tridec-2-enenitrile?
The canonical SMILES for (E)-tridec-2-enenitrile is CCCCCCCCCC/C=C/C#N.
What is the InChIKey of (E)-tridec-2-enenitrile?
The InChIKey is WKSPQBFDRTUGEF-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3/b12-11+.
What are the key properties of (E)-tridec-2-enenitrile?
(E)-tridec-2-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-2-enenitrile is sourced from PubChem (CID 6538105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).