3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one

C7H14N2O2 — CID 15306182

IUPAC3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1NCCC(=O)N1O
InChIInChI=1S/C7H14N2O2/c1-5(2)7-8-4-3-6(10)9(7)11/h5,7-8,11H,3-4H2,1-2H3
InChIKeyHOZUSVJKQORWGA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.18
Rot. Bonds1

About 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one

3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one (PubChem CID 15306182) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one
PubChem CID15306182
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1NCCC(=O)N1O
InChIInChI=1S/C7H14N2O2/c1-5(2)7-8-4-3-6(10)9(7)11/h5,7-8,11H,3-4H2,1-2H3
InChIKeyHOZUSVJKQORWGA-UHFFFAOYSA-N
XLogP0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.18
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

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(2S)-1-methyl-2-propan-2-yl-1,3-diazinane
CID 15939300
1-propan-2-yl-1,4-diazepane-2,7-dione
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(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
CID 58093300
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one?
The IUPAC name of 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one (CID 15306182) is 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one.
What is the SMILES notation for 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one?
The canonical SMILES for 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one is CC(C)C1NCCC(=O)N1O.
What is the InChIKey of 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one?
The InChIKey is HOZUSVJKQORWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)7-8-4-3-6(10)9(7)11/h5,7-8,11H,3-4H2,1-2H3.
What are the key properties of 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one?
3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one has a molecular weight of 158.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one is sourced from PubChem (CID 15306182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).