2-dec-9-enyl-1H-imidazole

C13H22N2 — CID 42604659

IUPAC2-dec-9-enyl-1H-imidazole
SMILESC=CCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2,11-12H,1,3-10H2,(H,14,15)
InChIKeyDXOGUTXCIBAAOA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.87
Rot. Bonds9

About 2-dec-9-enyl-1H-imidazole

2-dec-9-enyl-1H-imidazole (PubChem CID 42604659) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-dec-9-enyl-1H-imidazole.

Molecular Properties

Compound Name2-dec-9-enyl-1H-imidazole
PubChem CID42604659
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-dec-9-enyl-1H-imidazole
SMILESC=CCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2,11-12H,1,3-10H2,(H,14,15)
InChIKeyDXOGUTXCIBAAOA-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
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 2-dec-9-enyl-1H-imidazole?
The IUPAC name of 2-dec-9-enyl-1H-imidazole (CID 42604659) is 2-dec-9-enyl-1H-imidazole.
What is the SMILES notation for 2-dec-9-enyl-1H-imidazole?
The canonical SMILES for 2-dec-9-enyl-1H-imidazole is C=CCCCCCCCCc1ncc[nH]1.
What is the InChIKey of 2-dec-9-enyl-1H-imidazole?
The InChIKey is DXOGUTXCIBAAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2,11-12H,1,3-10H2,(H,14,15).
What are the key properties of 2-dec-9-enyl-1H-imidazole?
2-dec-9-enyl-1H-imidazole has a molecular weight of 206.33 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enyl-1H-imidazole is sourced from PubChem (CID 42604659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).