1-hex-5-enylimidazole

C9H14N2 — CID 23466933

IUPAC1-hex-5-enylimidazole
SMILESC=CCCCCn1ccnc1
InChIInChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h2,6,8-9H,1,3-5,7H2
InChIKeyZUZRMYMSOXWCPX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.24
Rot. Bonds5

About 1-hex-5-enylimidazole

1-hex-5-enylimidazole (PubChem CID 23466933) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-hex-5-enylimidazole.

Molecular Properties

Compound Name1-hex-5-enylimidazole
PubChem CID23466933
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-hex-5-enylimidazole
SMILESC=CCCCCn1ccnc1
InChIInChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h2,6,8-9H,1,3-5,7H2
InChIKeyZUZRMYMSOXWCPX-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
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 1-hex-5-enylimidazole?
The IUPAC name of 1-hex-5-enylimidazole (CID 23466933) is 1-hex-5-enylimidazole.
What is the SMILES notation for 1-hex-5-enylimidazole?
The canonical SMILES for 1-hex-5-enylimidazole is C=CCCCCn1ccnc1.
What is the InChIKey of 1-hex-5-enylimidazole?
The InChIKey is ZUZRMYMSOXWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h2,6,8-9H,1,3-5,7H2.
What are the key properties of 1-hex-5-enylimidazole?
1-hex-5-enylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enylimidazole is sourced from PubChem (CID 23466933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).