3-imidazol-1-yl-2-methylprop-2-en-1-ol

C7H10N2O — CID 67684988

IUPAC3-imidazol-1-yl-2-methylprop-2-en-1-ol
SMILESCC(=Cn1ccnc1)CO
InChIInChI=1S/C7H10N2O/c1-7(5-10)4-9-3-2-8-6-9/h2-4,6,10H,5H2,1H3
InChIKeyLMRVJCAQXHVTDC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.74
Rot. Bonds2

About 3-imidazol-1-yl-2-methylprop-2-en-1-ol

3-imidazol-1-yl-2-methylprop-2-en-1-ol (PubChem CID 67684988) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methylprop-2-en-1-ol
PubChem CID67684988
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-imidazol-1-yl-2-methylprop-2-en-1-ol
SMILESCC(=Cn1ccnc1)CO
InChIInChI=1S/C7H10N2O/c1-7(5-10)4-9-3-2-8-6-9/h2-4,6,10H,5H2,1H3
InChIKeyLMRVJCAQXHVTDC-UHFFFAOYSA-N
XLogP0.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

imidazol-1-ylmethylidenetungsten
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imidazole-1-carbaldehyde
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1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
tetrakis(1-ethenylimidazole);tetrahydrofluoride
CID 173041654
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70464038
1-penta-1,4-dienylimidazole
CID 66665708
acetonitrile;1-ethenylimidazole
CID 175188267
[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
CID 70583033
1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
CID 53242920
magnesium;1-ethenylimidazole;hydride;hydrochloride
CID 174736374
triethoxy-[(Z)-2-imidazol-1-ylethenyl]silane
CID 23261202

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methylprop-2-en-1-ol?
The IUPAC name of 3-imidazol-1-yl-2-methylprop-2-en-1-ol (CID 67684988) is 3-imidazol-1-yl-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-imidazol-1-yl-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-imidazol-1-yl-2-methylprop-2-en-1-ol is CC(=Cn1ccnc1)CO.
What is the InChIKey of 3-imidazol-1-yl-2-methylprop-2-en-1-ol?
The InChIKey is LMRVJCAQXHVTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(5-10)4-9-3-2-8-6-9/h2-4,6,10H,5H2,1H3.
What are the key properties of 3-imidazol-1-yl-2-methylprop-2-en-1-ol?
3-imidazol-1-yl-2-methylprop-2-en-1-ol has a molecular weight of 138.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methylprop-2-en-1-ol is sourced from PubChem (CID 67684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).