(E)-tetradec-3-enenitrile

C14H25N — CID 87740281

IUPAC(E)-tetradec-3-enenitrile
SMILESCCCCCCCCCC/C=C/CC#N
InChIInChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12H,2-10,13H2,1H3/b12-11+
InChIKeyHEWPEBKRWNEZJD-VAWYXSNFSA-N
MW207.36 g/mol
LogP4.99
Rot. Bonds10

About (E)-tetradec-3-enenitrile

(E)-tetradec-3-enenitrile (PubChem CID 87740281) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (E)-tetradec-3-enenitrile.

Molecular Properties

Compound Name(E)-tetradec-3-enenitrile
PubChem CID87740281
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(E)-tetradec-3-enenitrile
SMILESCCCCCCCCCC/C=C/CC#N
InChIInChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12H,2-10,13H2,1H3/b12-11+
InChIKeyHEWPEBKRWNEZJD-VAWYXSNFSA-N
XLogP4.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.99
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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Frequently Asked Questions

What is the IUPAC name of (E)-tetradec-3-enenitrile?
The IUPAC name of (E)-tetradec-3-enenitrile (CID 87740281) is (E)-tetradec-3-enenitrile.
What is the SMILES notation for (E)-tetradec-3-enenitrile?
The canonical SMILES for (E)-tetradec-3-enenitrile is CCCCCCCCCC/C=C/CC#N.
What is the InChIKey of (E)-tetradec-3-enenitrile?
The InChIKey is HEWPEBKRWNEZJD-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12H,2-10,13H2,1H3/b12-11+.
What are the key properties of (E)-tetradec-3-enenitrile?
(E)-tetradec-3-enenitrile has a molecular weight of 207.36 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tetradec-3-enenitrile is sourced from PubChem (CID 87740281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).