3-(2-ethylhexyl)imidazolidin-4-one

C11H22N2O — CID 107819301

IUPAC3-(2-ethylhexyl)imidazolidin-4-one
SMILESCCCCC(CC)CN1CNCC1=O
InChIInChI=1S/C11H22N2O/c1-3-5-6-10(4-2)8-13-9-12-7-11(13)14/h10,12H,3-9H2,1-2H3
InChIKeyGUVYKIXAXANYHX-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-ethylhexyl)imidazolidin-4-one

3-(2-ethylhexyl)imidazolidin-4-one (PubChem CID 107819301) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(2-ethylhexyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethylhexyl)imidazolidin-4-one
PubChem CID107819301
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(2-ethylhexyl)imidazolidin-4-one
SMILESCCCCC(CC)CN1CNCC1=O
InChIInChI=1S/C11H22N2O/c1-3-5-6-10(4-2)8-13-9-12-7-11(13)14/h10,12H,3-9H2,1-2H3
InChIKeyGUVYKIXAXANYHX-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)imidazolidin-4-one?
The IUPAC name of 3-(2-ethylhexyl)imidazolidin-4-one (CID 107819301) is 3-(2-ethylhexyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-ethylhexyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-ethylhexyl)imidazolidin-4-one is CCCCC(CC)CN1CNCC1=O.
What is the InChIKey of 3-(2-ethylhexyl)imidazolidin-4-one?
The InChIKey is GUVYKIXAXANYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-6-10(4-2)8-13-9-12-7-11(13)14/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(2-ethylhexyl)imidazolidin-4-one?
3-(2-ethylhexyl)imidazolidin-4-one has a molecular weight of 198.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)imidazolidin-4-one is sourced from PubChem (CID 107819301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).