4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one

C7H10N2O3 — CID 91096957

IUPAC4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one
SMILESCC(=O)Cn1c(O)cn(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-5(10)3-9-6(11)4-8(2)7(9)12/h4,11H,3H2,1-2H3
InChIKeyRNNHORCXMIDMJS-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.52
Rot. Bonds2

About 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one

4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one (PubChem CID 91096957) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one
PubChem CID91096957
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one
SMILESCC(=O)Cn1c(O)cn(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-5(10)3-9-6(11)4-8(2)7(9)12/h4,11H,3H2,1-2H3
InChIKeyRNNHORCXMIDMJS-UHFFFAOYSA-N
XLogP-0.52
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one (CID 91096957) is 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one is CC(=O)Cn1c(O)cn(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one?
The InChIKey is RNNHORCXMIDMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)3-9-6(11)4-8(2)7(9)12/h4,11H,3H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one?
4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one has a molecular weight of 170.17 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one is sourced from PubChem (CID 91096957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).