3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one

C8H15NO4 — CID 104550724

IUPAC3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one
SMILESCC(CO)(CO)N1CCCOC1=O
InChIInChI=1S/C8H15NO4/c1-8(5-10,6-11)9-3-2-4-13-7(9)12/h10-11H,2-6H2,1H3
InChIKeyLRPYSJSECISLNJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.43
Rot. Bonds3

About 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one

3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one (PubChem CID 104550724) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one
PubChem CID104550724
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one
SMILESCC(CO)(CO)N1CCCOC1=O
InChIInChI=1S/C8H15NO4/c1-8(5-10,6-11)9-3-2-4-13-7(9)12/h10-11H,2-6H2,1H3
InChIKeyLRPYSJSECISLNJ-UHFFFAOYSA-N
XLogP-0.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one
CID 58910206
3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 104550408
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
3-(2-aminopropan-2-yl)-1,3-oxazolidin-2-one
CID 145080919
3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one
CID 581720
1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one
CID 104549687
9-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 110175604
3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate
CID 110719419
3-acetyl-1,3-oxazepan-2-one
CID 18702579
3-pent-1-yn-3-yl-1,3-oxazinan-2-one
CID 106226498
2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
CID 114990682

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one (CID 104550724) is 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one is CC(CO)(CO)N1CCCOC1=O.
What is the InChIKey of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one?
The InChIKey is LRPYSJSECISLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(5-10,6-11)9-3-2-4-13-7(9)12/h10-11H,2-6H2,1H3.
What are the key properties of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one?
3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one has a molecular weight of 189.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 104550724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).