3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one

C9H16N2O — CID 83242202

IUPAC3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
SMILESCCC1NC(C)C(=O)N1C1CC1
InChIInChI=1S/C9H16N2O/c1-3-8-10-6(2)9(12)11(8)7-4-5-7/h6-8,10H,3-5H2,1-2H3
InChIKeyFIAIFNOEBJFEIS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.71
Rot. Bonds2

About 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one

3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one (PubChem CID 83242202) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
PubChem CID83242202
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
SMILESCCC1NC(C)C(=O)N1C1CC1
InChIInChI=1S/C9H16N2O/c1-3-8-10-6(2)9(12)11(8)7-4-5-7/h6-8,10H,3-5H2,1-2H3
InChIKeyFIAIFNOEBJFEIS-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one (CID 83242202) is 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one is CCC1NC(C)C(=O)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one?
The InChIKey is FIAIFNOEBJFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8-10-6(2)9(12)11(8)7-4-5-7/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one?
3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one has a molecular weight of 168.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83242202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).