5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one

C6H8N2O3 — CID 54167063

IUPAC5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1CC1CO1
InChIInChI=1S/C6H8N2O3/c9-5-2-8(6(10)7-5)1-4-3-11-4/h2,4,9H,1,3H2,(H,7,10)
InChIKeyOSJRAIRLDAGSOQ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.72
Rot. Bonds2

About 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one

5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one (PubChem CID 54167063) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one
PubChem CID54167063
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1CC1CO1
InChIInChI=1S/C6H8N2O3/c9-5-2-8(6(10)7-5)1-4-3-11-4/h2,4,9H,1,3H2,(H,7,10)
InChIKeyOSJRAIRLDAGSOQ-UHFFFAOYSA-N
XLogP-0.72
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one (CID 54167063) is 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one is O=c1[nH]c(O)cn1CC1CO1.
What is the InChIKey of 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one?
The InChIKey is OSJRAIRLDAGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-5-2-8(6(10)7-5)1-4-3-11-4/h2,4,9H,1,3H2,(H,7,10).
What are the key properties of 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one?
5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one has a molecular weight of 156.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(oxiran-2-ylmethyl)-1H-imidazol-2-one is sourced from PubChem (CID 54167063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).