3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one

C9H16N2O2 — CID 103126057

IUPAC3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one
SMILESCC(C)COCCn1cc[nH]c1=O
InChIInChI=1S/C9H16N2O2/c1-8(2)7-13-6-5-11-4-3-10-9(11)12/h3-4,8H,5-7H2,1-2H3,(H,10,12)
InChIKeyGDCHVGLBMZHNOZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.85
Rot. Bonds5

About 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one

3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one (PubChem CID 103126057) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one
PubChem CID103126057
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one
SMILESCC(C)COCCn1cc[nH]c1=O
InChIInChI=1S/C9H16N2O2/c1-8(2)7-13-6-5-11-4-3-10-9(11)12/h3-4,8H,5-7H2,1-2H3,(H,10,12)
InChIKeyGDCHVGLBMZHNOZ-UHFFFAOYSA-N
XLogP0.85
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one (CID 103126057) is 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one is CC(C)COCCn1cc[nH]c1=O.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one?
The InChIKey is GDCHVGLBMZHNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)7-13-6-5-11-4-3-10-9(11)12/h3-4,8H,5-7H2,1-2H3,(H,10,12).
What are the key properties of 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one?
3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103126057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).