2-dec-9-enyl-4,5-dihydro-1H-imidazole

C13H24N2 — CID 12535967

IUPAC2-dec-9-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCCCCCCCCC1=NCCN1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2H,1,3-12H2,(H,14,15)
InChIKeyVKRCNQHYOISGSN-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.29
Rot. Bonds9

About 2-dec-9-enyl-4,5-dihydro-1H-imidazole

2-dec-9-enyl-4,5-dihydro-1H-imidazole (PubChem CID 12535967) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-dec-9-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-dec-9-enyl-4,5-dihydro-1H-imidazole
PubChem CID12535967
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-dec-9-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCCCCCCCCC1=NCCN1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2H,1,3-12H2,(H,14,15)
InChIKeyVKRCNQHYOISGSN-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-dec-9-enyl-4,5-dihydro-1H-imidazole (CID 12535967) is 2-dec-9-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-dec-9-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-dec-9-enyl-4,5-dihydro-1H-imidazole is C=CCCCCCCCCC1=NCCN1.
What is the InChIKey of 2-dec-9-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is VKRCNQHYOISGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h2H,1,3-12H2,(H,14,15).
What are the key properties of 2-dec-9-enyl-4,5-dihydro-1H-imidazole?
2-dec-9-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12535967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).