2-hydroxy-1-(2-methylimidazol-1-yl)ethanone

C6H8N2O2 — CID 67684547

IUPAC2-hydroxy-1-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1C(=O)CO
InChIInChI=1S/C6H8N2O2/c1-5-7-2-3-8(5)6(10)4-9/h2-3,9H,4H2,1H3
InChIKeyZISKOTJSBYNVFB-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.18
Rot. Bonds1

About 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone

2-hydroxy-1-(2-methylimidazol-1-yl)ethanone (PubChem CID 67684547) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2-methylimidazol-1-yl)ethanone
PubChem CID67684547
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-hydroxy-1-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1C(=O)CO
InChIInChI=1S/C6H8N2O2/c1-5-7-2-3-8(5)6(10)4-9/h2-3,9H,4H2,1H3
InChIKeyZISKOTJSBYNVFB-UHFFFAOYSA-N
XLogP-0.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone (CID 67684547) is 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone is Cc1nccn1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone?
The InChIKey is ZISKOTJSBYNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-7-2-3-8(5)6(10)4-9/h2-3,9H,4H2,1H3.
What are the key properties of 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone?
2-hydroxy-1-(2-methylimidazol-1-yl)ethanone has a molecular weight of 140.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 67684547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).