1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one

C7H12N2O2 — CID 125457192

IUPAC1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one
SMILESCCn1cc(CO)n(C)c1=O
InChIInChI=1S/C7H12N2O2/c1-3-9-4-6(5-10)8(2)7(9)11/h4,10H,3,5H2,1-2H3
InChIKeyNTOFIZRDUMSHPA-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.30
Rot. Bonds2

About 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one

1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one (PubChem CID 125457192) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one
PubChem CID125457192
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one
SMILESCCn1cc(CO)n(C)c1=O
InChIInChI=1S/C7H12N2O2/c1-3-9-4-6(5-10)8(2)7(9)11/h4,10H,3,5H2,1-2H3
InChIKeyNTOFIZRDUMSHPA-UHFFFAOYSA-N
XLogP-0.30
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one (CID 125457192) is 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one is CCn1cc(CO)n(C)c1=O.
What is the InChIKey of 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one?
The InChIKey is NTOFIZRDUMSHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-4-6(5-10)8(2)7(9)11/h4,10H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one?
1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one has a molecular weight of 156.18 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 125457192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).