3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one

C10H20N2O2 — CID 83237257

IUPAC3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1CC
InChIInChI=1S/C10H20N2O2/c1-4-9-11-8(3)10(13)12(9)6-7-14-5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyJZJXRLYKYDURPQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.58
Rot. Bonds5

About 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one

3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one (PubChem CID 83237257) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one
PubChem CID83237257
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1CC
InChIInChI=1S/C10H20N2O2/c1-4-9-11-8(3)10(13)12(9)6-7-14-5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyJZJXRLYKYDURPQ-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.58
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-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one (CID 83237257) is 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one is CCOCCN1C(=O)C(C)NC1CC.
What is the InChIKey of 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one?
The InChIKey is JZJXRLYKYDURPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-9-11-8(3)10(13)12(9)6-7-14-5-2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one?
3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one has a molecular weight of 200.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83237257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).