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

C8H14N2O2 — CID 115773725

IUPAC1-(2-ethoxyethyl)-3-methylimidazol-2-one
SMILESCCOCCn1ccn(C)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-12-7-6-10-5-4-9(2)8(10)11/h4-5H,3,6-7H2,1-2H3
InChIKeyBQMROOAXMDRQNG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.22
Rot. Bonds4

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

1-(2-ethoxyethyl)-3-methylimidazol-2-one (PubChem CID 115773725) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methylimidazol-2-one
PubChem CID115773725
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(2-ethoxyethyl)-3-methylimidazol-2-one
SMILESCCOCCn1ccn(C)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-12-7-6-10-5-4-9(2)8(10)11/h4-5H,3,6-7H2,1-2H3
InChIKeyBQMROOAXMDRQNG-UHFFFAOYSA-N
XLogP0.22
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-3-methylimidazol-2-one (CID 115773725) is 1-(2-ethoxyethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methylimidazol-2-one is CCOCCn1ccn(C)c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methylimidazol-2-one?
The InChIKey is BQMROOAXMDRQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-12-7-6-10-5-4-9(2)8(10)11/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-3-methylimidazol-2-one?
1-(2-ethoxyethyl)-3-methylimidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 115773725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).