2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one

C8H16N2O2 — CID 12025141

IUPAC2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one
SMILESCC(C)(C)C1(C)NCC(=O)N1O
InChIInChI=1S/C8H16N2O2/c1-7(2,3)8(4)9-5-6(11)10(8)12/h9,12H,5H2,1-4H3
InChIKeySZYQFFHEXMBZRV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.57
Rot. Bonds

About 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one

2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one (PubChem CID 12025141) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one
PubChem CID12025141
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one
SMILESCC(C)(C)C1(C)NCC(=O)N1O
InChIInChI=1S/C8H16N2O2/c1-7(2,3)8(4)9-5-6(11)10(8)12/h9,12H,5H2,1-4H3
InChIKeySZYQFFHEXMBZRV-UHFFFAOYSA-N
XLogP0.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
CID 115024376
1-ethyl-3,3-dimethylpiperazine-2,6-dione
CID 66067687
1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
CID 66069806
3-hydroxy-2-methyl-2-phenyl-1,3-diazinan-4-one
CID 15306193
6-tert-butyl-1-methylpiperazin-2-one
CID 83695429
3,5-dimethylimidazolidin-4-one;methanol
CID 143342148
(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one
CID 129391869
(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 131215833
2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
CID 67321518
4-methyl-3-oxo-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
CID 168877175
5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105466148
benzene;3-tert-butylimidazolidine-2,4-dione
CID 70509532

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one?
The IUPAC name of 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one (CID 12025141) is 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one?
The canonical SMILES for 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one is CC(C)(C)C1(C)NCC(=O)N1O.
What is the InChIKey of 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one?
The InChIKey is SZYQFFHEXMBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2,3)8(4)9-5-6(11)10(8)12/h9,12H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one?
2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one has a molecular weight of 172.23 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-hydroxy-2-methylimidazolidin-4-one is sourced from PubChem (CID 12025141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).