1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one

C5H8N2O3 — CID 69117996

IUPAC1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one
SMILESCC(O)n1ccn(O)c1=O
InChIInChI=1S/C5H8N2O3/c1-4(8)6-2-3-7(10)5(6)9/h2-4,8,10H,1H3
InChIKeyVTXNGPMPNLKNTQ-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.60
Rot. Bonds1

About 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one

1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one (PubChem CID 69117996) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one
PubChem CID69117996
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one
SMILESCC(O)n1ccn(O)c1=O
InChIInChI=1S/C5H8N2O3/c1-4(8)6-2-3-7(10)5(6)9/h2-4,8,10H,1H3
InChIKeyVTXNGPMPNLKNTQ-UHFFFAOYSA-N
XLogP-0.60
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one?
The IUPAC name of 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one (CID 69117996) is 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one.
What is the SMILES notation for 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one?
The canonical SMILES for 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one is CC(O)n1ccn(O)c1=O.
What is the InChIKey of 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one?
The InChIKey is VTXNGPMPNLKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-4(8)6-2-3-7(10)5(6)9/h2-4,8,10H,1H3.
What are the key properties of 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one?
1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one has a molecular weight of 144.13 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-hydroxyethyl)imidazol-2-one is sourced from PubChem (CID 69117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).