2-(1-methylimidazol-2-yl)hex-5-en-2-ol

C10H16N2O — CID 104656393

IUPAC2-(1-methylimidazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1nccn1C
InChIInChI=1S/C10H16N2O/c1-4-5-6-10(2,13)9-11-7-8-12(9)3/h4,7-8,13H,1,5-6H2,2-3H3
InChIKeyKNGULIKYSUPYBN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)hex-5-en-2-ol

2-(1-methylimidazol-2-yl)hex-5-en-2-ol (PubChem CID 104656393) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)hex-5-en-2-ol
PubChem CID104656393
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(1-methylimidazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1nccn1C
InChIInChI=1S/C10H16N2O/c1-4-5-6-10(2,13)9-11-7-8-12(9)3/h4,7-8,13H,1,5-6H2,2-3H3
InChIKeyKNGULIKYSUPYBN-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Methylimidazol-2-yl)pentan-3-ol
CID 63975988
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
2,2-Dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
3-(1-Cyclohexylimidazol-2-yl)pentan-3-ol
CID 102490470
3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954
3-(1-Octan-2-ylimidazol-2-yl)pentan-3-ol
CID 134859017
2-(1-methyl-1H-imidazol-2-yl)propan-2-ol
CID 13125037
1-[1-(3-Fluorobut-3-enyl)imidazol-2-yl]-2-methylpropan-1-ol
CID 156288834
1-[1-(4-Fluorobut-1-en-2-yl)imidazol-2-yl]-2-methylpropan-1-ol
CID 156288959
1,1,1-Trifluoro-2-(1-methylimidazol-2-yl)pentan-2-ol
CID 166799319
1-(1-Methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 49962356
3-(1-Pentylimidazol-2-yl)pentan-3-ol
CID 102490460

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-(1-methylimidazol-2-yl)hex-5-en-2-ol (CID 104656393) is 2-(1-methylimidazol-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)c1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)hex-5-en-2-ol?
The InChIKey is KNGULIKYSUPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-6-10(2,13)9-11-7-8-12(9)3/h4,7-8,13H,1,5-6H2,2-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)hex-5-en-2-ol?
2-(1-methylimidazol-2-yl)hex-5-en-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).