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

C9H18N2O2 — CID 18386725

IUPAC1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one
SMILESCCOCCN1CCN(CC)C1=O
InChIInChI=1S/C9H18N2O2/c1-3-10-5-6-11(9(10)12)7-8-13-4-2/h3-8H2,1-2H3
InChIKeyRBYRKBREHZEVGY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds5

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

1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one (PubChem CID 18386725) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one
PubChem CID18386725
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one
SMILESCCOCCN1CCN(CC)C1=O
InChIInChI=1S/C9H18N2O2/c1-3-10-5-6-11(9(10)12)7-8-13-4-2/h3-8H2,1-2H3
InChIKeyRBYRKBREHZEVGY-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylimidazolidin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one (CID 18386725) is 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one is CCOCCN1CCN(CC)C1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one?
The InChIKey is RBYRKBREHZEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10-5-6-11(9(10)12)7-8-13-4-2/h3-8H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one?
1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethylimidazolidin-2-one is sourced from PubChem (CID 18386725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).