2-(2-prop-2-enylimidazol-1-yl)ethanol

C8H12N2O — CID 67436915

IUPAC2-(2-prop-2-enylimidazol-1-yl)ethanol
SMILESC=CCc1nccn1CCO
InChIInChI=1S/C8H12N2O/c1-2-3-8-9-4-5-10(8)6-7-11/h2,4-5,11H,1,3,6-7H2
InChIKeyRSWQHEQLBUUXKB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.60
Rot. Bonds4

About 2-(2-prop-2-enylimidazol-1-yl)ethanol

2-(2-prop-2-enylimidazol-1-yl)ethanol (PubChem CID 67436915) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(2-prop-2-enylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-prop-2-enylimidazol-1-yl)ethanol
PubChem CID67436915
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(2-prop-2-enylimidazol-1-yl)ethanol
SMILESC=CCc1nccn1CCO
InChIInChI=1S/C8H12N2O/c1-2-3-8-9-4-5-10(8)6-7-11/h2,4-5,11H,1,3,6-7H2
InChIKeyRSWQHEQLBUUXKB-UHFFFAOYSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-prop-2-enylimidazol-1-yl)ethanol (CID 67436915) is 2-(2-prop-2-enylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-prop-2-enylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-prop-2-enylimidazol-1-yl)ethanol is C=CCc1nccn1CCO.
What is the InChIKey of 2-(2-prop-2-enylimidazol-1-yl)ethanol?
The InChIKey is RSWQHEQLBUUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-8-9-4-5-10(8)6-7-11/h2,4-5,11H,1,3,6-7H2.
What are the key properties of 2-(2-prop-2-enylimidazol-1-yl)ethanol?
2-(2-prop-2-enylimidazol-1-yl)ethanol has a molecular weight of 152.20 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylimidazol-1-yl)ethanol is sourced from PubChem (CID 67436915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).