(Z)-13-isocyanotridec-3-ene

C14H25N — CID 158554599

IUPAC(Z)-13-isocyanotridec-3-ene
SMILES[C-]#[N+]CCCCCCCCC/C=C\CC
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h4-5H,3,6-14H2,1H3/b5-4-
InChIKeyXXEIINMEDVFEEZ-PLNGDYQASA-N
MW207.36 g/mol
LogP4.99
Rot. Bonds10

About (Z)-13-isocyanotridec-3-ene

(Z)-13-isocyanotridec-3-ene (PubChem CID 158554599) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-13-isocyanotridec-3-ene.

Molecular Properties

Compound Name(Z)-13-isocyanotridec-3-ene
PubChem CID158554599
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-13-isocyanotridec-3-ene
SMILES[C-]#[N+]CCCCCCCCC/C=C\CC
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h4-5H,3,6-14H2,1H3/b5-4-
InChIKeyXXEIINMEDVFEEZ-PLNGDYQASA-N
XLogP4.99
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
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 ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-13-isocyanotridec-3-ene?
The IUPAC name of (Z)-13-isocyanotridec-3-ene (CID 158554599) is (Z)-13-isocyanotridec-3-ene.
What is the SMILES notation for (Z)-13-isocyanotridec-3-ene?
The canonical SMILES for (Z)-13-isocyanotridec-3-ene is [C-]#[N+]CCCCCCCCC/C=C\CC.
What is the InChIKey of (Z)-13-isocyanotridec-3-ene?
The InChIKey is XXEIINMEDVFEEZ-PLNGDYQASA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h4-5H,3,6-14H2,1H3/b5-4-.
What are the key properties of (Z)-13-isocyanotridec-3-ene?
(Z)-13-isocyanotridec-3-ene has a molecular weight of 207.36 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13-isocyanotridec-3-ene is sourced from PubChem (CID 158554599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).