2-hepta-1,6-dien-4-yl-1H-imidazole

C10H14N2 — CID 69448654

IUPAC2-hepta-1,6-dien-4-yl-1H-imidazole
SMILESC=CCC(CC=C)c1ncc[nH]1
InChIInChI=1S/C10H14N2/c1-3-5-9(6-4-2)10-11-7-8-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12)
InChIKeyWNEKLTGPHSYQMU-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.65
Rot. Bonds5

About 2-hepta-1,6-dien-4-yl-1H-imidazole

2-hepta-1,6-dien-4-yl-1H-imidazole (PubChem CID 69448654) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-hepta-1,6-dien-4-yl-1H-imidazole.

Molecular Properties

Compound Name2-hepta-1,6-dien-4-yl-1H-imidazole
PubChem CID69448654
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-hepta-1,6-dien-4-yl-1H-imidazole
SMILESC=CCC(CC=C)c1ncc[nH]1
InChIInChI=1S/C10H14N2/c1-3-5-9(6-4-2)10-11-7-8-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12)
InChIKeyWNEKLTGPHSYQMU-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hepta-1,6-dien-4-yl-1H-imidazole?
The IUPAC name of 2-hepta-1,6-dien-4-yl-1H-imidazole (CID 69448654) is 2-hepta-1,6-dien-4-yl-1H-imidazole.
What is the SMILES notation for 2-hepta-1,6-dien-4-yl-1H-imidazole?
The canonical SMILES for 2-hepta-1,6-dien-4-yl-1H-imidazole is C=CCC(CC=C)c1ncc[nH]1.
What is the InChIKey of 2-hepta-1,6-dien-4-yl-1H-imidazole?
The InChIKey is WNEKLTGPHSYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-9(6-4-2)10-11-7-8-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12).
What are the key properties of 2-hepta-1,6-dien-4-yl-1H-imidazole?
2-hepta-1,6-dien-4-yl-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-1,6-dien-4-yl-1H-imidazole is sourced from PubChem (CID 69448654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).