4-methoxy-3-methyl-4H-imidazol-2-one

C5H8N2O2 — CID 173057238

IUPAC4-methoxy-3-methyl-4H-imidazol-2-one
SMILESCOC1C=NC(=O)N1C
InChIInChI=1S/C5H8N2O2/c1-7-4(9-2)3-6-5(7)8/h3-4H,1-2H3
InChIKeyBZCLPDFARZIXCS-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.10
Rot. Bonds1

About 4-methoxy-3-methyl-4H-imidazol-2-one

4-methoxy-3-methyl-4H-imidazol-2-one (PubChem CID 173057238) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-methoxy-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-4H-imidazol-2-one
PubChem CID173057238
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name4-methoxy-3-methyl-4H-imidazol-2-one
SMILESCOC1C=NC(=O)N1C
InChIInChI=1S/C5H8N2O2/c1-7-4(9-2)3-6-5(7)8/h3-4H,1-2H3
InChIKeyBZCLPDFARZIXCS-UHFFFAOYSA-N
XLogP0.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-4H-imidazol-2-one?
The IUPAC name of 4-methoxy-3-methyl-4H-imidazol-2-one (CID 173057238) is 4-methoxy-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 4-methoxy-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 4-methoxy-3-methyl-4H-imidazol-2-one is COC1C=NC(=O)N1C.
What is the InChIKey of 4-methoxy-3-methyl-4H-imidazol-2-one?
The InChIKey is BZCLPDFARZIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-4(9-2)3-6-5(7)8/h3-4H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-4H-imidazol-2-one?
4-methoxy-3-methyl-4H-imidazol-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 173057238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).