1-hex-5-en-3-ylimidazole

C9H14N2 — CID 121330081

IUPAC1-hex-5-en-3-ylimidazole
SMILESC=CCC(CC)n1ccnc1
InChIInChI=1S/C9H14N2/c1-3-5-9(4-2)11-7-6-10-8-11/h3,6-9H,1,4-5H2,2H3
InChIKeyYTCPMJOKOMRPPX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.41
Rot. Bonds4

About 1-hex-5-en-3-ylimidazole

1-hex-5-en-3-ylimidazole (PubChem CID 121330081) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-hex-5-en-3-ylimidazole.

Molecular Properties

Compound Name1-hex-5-en-3-ylimidazole
PubChem CID121330081
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-hex-5-en-3-ylimidazole
SMILESC=CCC(CC)n1ccnc1
InChIInChI=1S/C9H14N2/c1-3-5-9(4-2)11-7-6-10-8-11/h3,6-9H,1,4-5H2,2H3
InChIKeyYTCPMJOKOMRPPX-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexan-3-ylimidazole
CID 54145075
1-pent-1-en-3-ylimidazole;hydrochloride
CID 175258321
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
1-(4-methylhex-1-en-3-yl)imidazole
CID 174521319
2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine
CID 62448325
1-(5-ethyloctan-3-yl)imidazole
CID 140807284
3-imidazol-1-yl-2-methylidenehex-5-enoic acid
CID 122604042
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
1-docosan-5-ylimidazole
CID 135305816
1-octadecan-4-ylimidazole
CID 174516132
(2S)-2-imidazol-1-yl-4-methylpentan-1-ol
CID 10986662
1-O-ethyl 3-O-prop-2-enyl 2-imidazol-1-ylpropanedioate;hydrochloride
CID 174597253

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-en-3-ylimidazole?
The IUPAC name of 1-hex-5-en-3-ylimidazole (CID 121330081) is 1-hex-5-en-3-ylimidazole.
What is the SMILES notation for 1-hex-5-en-3-ylimidazole?
The canonical SMILES for 1-hex-5-en-3-ylimidazole is C=CCC(CC)n1ccnc1.
What is the InChIKey of 1-hex-5-en-3-ylimidazole?
The InChIKey is YTCPMJOKOMRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-9(4-2)11-7-6-10-8-11/h3,6-9H,1,4-5H2,2H3.
What are the key properties of 1-hex-5-en-3-ylimidazole?
1-hex-5-en-3-ylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-en-3-ylimidazole is sourced from PubChem (CID 121330081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).