3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one

C9H18N2O3 — CID 83256580

IUPAC3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
SMILESCOCCOCCN1CNC(C)C1=O
InChIInChI=1S/C9H18N2O3/c1-8-9(12)11(7-10-8)3-4-14-6-5-13-2/h8,10H,3-7H2,1-2H3
InChIKeyIWFPPIQFGPLDAJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.57
Rot. Bonds6

About 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one

3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one (PubChem CID 83256580) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
PubChem CID83256580
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
SMILESCOCCOCCN1CNC(C)C1=O
InChIInChI=1S/C9H18N2O3/c1-8-9(12)11(7-10-8)3-4-14-6-5-13-2/h8,10H,3-7H2,1-2H3
InChIKeyIWFPPIQFGPLDAJ-UHFFFAOYSA-N
XLogP-0.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
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 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one (CID 83256580) is 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one is COCCOCCN1CNC(C)C1=O.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one?
The InChIKey is IWFPPIQFGPLDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8-9(12)11(7-10-8)3-4-14-6-5-13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one?
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one has a molecular weight of 202.25 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 83256580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).