3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one

C12H22N2O — CID 83243038

IUPAC3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one
SMILESCCC1(C)NCN(C2CCCCC2)C1=O
InChIInChI=1S/C12H22N2O/c1-3-12(2)11(15)14(9-13-12)10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyIROXTXBLOUDYFU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.88
Rot. Bonds2

About 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one

3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one (PubChem CID 83243038) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one
PubChem CID83243038
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one
SMILESCCC1(C)NCN(C2CCCCC2)C1=O
InChIInChI=1S/C12H22N2O/c1-3-12(2)11(15)14(9-13-12)10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyIROXTXBLOUDYFU-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one (CID 83243038) is 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one is CCC1(C)NCN(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one?
The InChIKey is IROXTXBLOUDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(2)11(15)14(9-13-12)10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one?
3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one has a molecular weight of 210.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83243038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).