1-(hydroxymethyl)-3-methylimidazol-2-one

C5H8N2O2 — CID 14245714

IUPAC1-(hydroxymethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CO)c1=O
InChIInChI=1S/C5H8N2O2/c1-6-2-3-7(4-8)5(6)9/h2-3,8H,4H2,1H3
InChIKeyJGXYMTOSRXMOBE-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.86
Rot. Bonds1

About 1-(hydroxymethyl)-3-methylimidazol-2-one

1-(hydroxymethyl)-3-methylimidazol-2-one (PubChem CID 14245714) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-methylimidazol-2-one
PubChem CID14245714
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-(hydroxymethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CO)c1=O
InChIInChI=1S/C5H8N2O2/c1-6-2-3-7(4-8)5(6)9/h2-3,8H,4H2,1H3
InChIKeyJGXYMTOSRXMOBE-UHFFFAOYSA-N
XLogP-0.86
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(hydroxymethyl)-3-methylimidazol-2-one (CID 14245714) is 1-(hydroxymethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(hydroxymethyl)-3-methylimidazol-2-one is Cn1ccn(CO)c1=O.
What is the InChIKey of 1-(hydroxymethyl)-3-methylimidazol-2-one?
The InChIKey is JGXYMTOSRXMOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-6-2-3-7(4-8)5(6)9/h2-3,8H,4H2,1H3.
What are the key properties of 1-(hydroxymethyl)-3-methylimidazol-2-one?
1-(hydroxymethyl)-3-methylimidazol-2-one has a molecular weight of 128.13 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 14245714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).