5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one

C6H10N2O2 — CID 91149407

IUPAC5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one
SMILESCC(O)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C6H10N2O2/c1-4(9)5-3-8(2)6(10)7-5/h3-4,9H,1-2H3,(H,7,10)
InChIKeyYQVZYTMLMZTRJE-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.23
Rot. Bonds1

About 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one

5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one (PubChem CID 91149407) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one
PubChem CID91149407
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one
SMILESCC(O)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C6H10N2O2/c1-4(9)5-3-8(2)6(10)7-5/h3-4,9H,1-2H3,(H,7,10)
InChIKeyYQVZYTMLMZTRJE-UHFFFAOYSA-N
XLogP-0.23
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one (CID 91149407) is 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one is CC(O)c1cn(C)c(=O)[nH]1.
What is the InChIKey of 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one?
The InChIKey is YQVZYTMLMZTRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(9)5-3-8(2)6(10)7-5/h3-4,9H,1-2H3,(H,7,10).
What are the key properties of 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one?
5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 91149407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).