4-(1-methylimidazol-2-yl)but-3-en-1-ol

C8H12N2O — CID 170475975

IUPAC4-(1-methylimidazol-2-yl)but-3-en-1-ol
SMILESCn1ccnc1C=CCCO
InChIInChI=1S/C8H12N2O/c1-10-6-5-9-8(10)4-2-3-7-11/h2,4-6,11H,3,7H2,1H3
InChIKeyBEGZOUMPHVPLJR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.82
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)but-3-en-1-ol

4-(1-methylimidazol-2-yl)but-3-en-1-ol (PubChem CID 170475975) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)but-3-en-1-ol
PubChem CID170475975
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(1-methylimidazol-2-yl)but-3-en-1-ol
SMILESCn1ccnc1C=CCCO
InChIInChI=1S/C8H12N2O/c1-10-6-5-9-8(10)4-2-3-7-11/h2,4-6,11H,3,7H2,1H3
InChIKeyBEGZOUMPHVPLJR-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylimidazol-2-yl)but-3-ene-1-thiol
CID 170477706
(E)-1-hydroxy-4-(1-methylimidazol-2-yl)but-3-en-2-one
CID 134316804
1-methyl-2-prop-1-enylimidazole;hydroiodide
CID 175574352
2-(3-azidoprop-1-enyl)-1-methylimidazole
CID 169461225
3-(1-methylimidazol-2-yl)prop-2-enal
CID 131852628
(E)-7-(1-methylimidazol-2-yl)hept-6-ene-2,5-dione
CID 90338930
methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate
CID 67046521
ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
CID 56825366
N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
CID 101458660
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312
N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine
CID 145064518
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-methylimidazole
CID 10586958

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)but-3-en-1-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)but-3-en-1-ol (CID 170475975) is 4-(1-methylimidazol-2-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)but-3-en-1-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)but-3-en-1-ol is Cn1ccnc1C=CCCO.
What is the InChIKey of 4-(1-methylimidazol-2-yl)but-3-en-1-ol?
The InChIKey is BEGZOUMPHVPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-6-5-9-8(10)4-2-3-7-11/h2,4-6,11H,3,7H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)but-3-en-1-ol?
4-(1-methylimidazol-2-yl)but-3-en-1-ol has a molecular weight of 152.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)but-3-en-1-ol is sourced from PubChem (CID 170475975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).