3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one

C9H18N2O2 — CID 18547257

IUPAC3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC(O)N1C(=O)C(C)(C)NC1(C)C
InChIInChI=1S/C9H18N2O2/c1-6(12)11-7(13)8(2,3)10-9(11,4)5/h6,10,12H,1-5H3
InChIKeyOTFBHVVWTOCZCY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds1

About 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one

3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one (PubChem CID 18547257) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one
PubChem CID18547257
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC(O)N1C(=O)C(C)(C)NC1(C)C
InChIInChI=1S/C9H18N2O2/c1-6(12)11-7(13)8(2,3)10-9(11,4)5/h6,10,12H,1-5H3
InChIKeyOTFBHVVWTOCZCY-UHFFFAOYSA-N
XLogP0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one?
The IUPAC name of 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one (CID 18547257) is 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one?
The canonical SMILES for 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one is CC(O)N1C(=O)C(C)(C)NC1(C)C.
What is the InChIKey of 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one?
The InChIKey is OTFBHVVWTOCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(12)11-7(13)8(2,3)10-9(11,4)5/h6,10,12H,1-5H3.
What are the key properties of 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one?
3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one has a molecular weight of 186.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-2,2,5,5-tetramethylimidazolidin-4-one is sourced from PubChem (CID 18547257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).