1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one

C8H16N2O2 — CID 143088402

IUPAC1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one
SMILESCC1C(=O)NC(O)N1C(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-5-6(11)9-7(12)10(5)8(2,3)4/h5,7,12H,1-4H3,(H,9,11)
InChIKeyCQKYDGFAGYJUCT-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.12
Rot. Bonds

About 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one

1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one (PubChem CID 143088402) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one
PubChem CID143088402
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one
SMILESCC1C(=O)NC(O)N1C(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-5-6(11)9-7(12)10(5)8(2,3)4/h5,7,12H,1-4H3,(H,9,11)
InChIKeyCQKYDGFAGYJUCT-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one?
The IUPAC name of 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one (CID 143088402) is 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one.
What is the SMILES notation for 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one?
The canonical SMILES for 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one is CC1C(=O)NC(O)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one?
The InChIKey is CQKYDGFAGYJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-6(11)9-7(12)10(5)8(2,3)4/h5,7,12H,1-4H3,(H,9,11).
What are the key properties of 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one?
1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one has a molecular weight of 172.23 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-hydroxy-5-methylimidazolidin-4-one is sourced from PubChem (CID 143088402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).