(1-ethenylimidazol-4-yl)methanol

C6H8N2O — CID 19746928

IUPAC(1-ethenylimidazol-4-yl)methanol
SMILESC=Cn1cnc(CO)c1
InChIInChI=1S/C6H8N2O/c1-2-8-3-6(4-9)7-5-8/h2-3,5,9H,1,4H2
InChIKeyIQZFDCLFWYMTIX-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.48
Rot. Bonds2

About (1-ethenylimidazol-4-yl)methanol

(1-ethenylimidazol-4-yl)methanol (PubChem CID 19746928) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (1-ethenylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethenylimidazol-4-yl)methanol
PubChem CID19746928
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(1-ethenylimidazol-4-yl)methanol
SMILESC=Cn1cnc(CO)c1
InChIInChI=1S/C6H8N2O/c1-2-8-3-6(4-9)7-5-8/h2-3,5,9H,1,4H2
InChIKeyIQZFDCLFWYMTIX-UHFFFAOYSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylimidazol-4-yl)methanol?
The IUPAC name of (1-ethenylimidazol-4-yl)methanol (CID 19746928) is (1-ethenylimidazol-4-yl)methanol.
What is the SMILES notation for (1-ethenylimidazol-4-yl)methanol?
The canonical SMILES for (1-ethenylimidazol-4-yl)methanol is C=Cn1cnc(CO)c1.
What is the InChIKey of (1-ethenylimidazol-4-yl)methanol?
The InChIKey is IQZFDCLFWYMTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-8-3-6(4-9)7-5-8/h2-3,5,9H,1,4H2.
What are the key properties of (1-ethenylimidazol-4-yl)methanol?
(1-ethenylimidazol-4-yl)methanol has a molecular weight of 124.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylimidazol-4-yl)methanol is sourced from PubChem (CID 19746928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).