2-(3-hydroxypropyl)oxazinan-3-one

C7H13NO3 — CID 105431183

IUPAC2-(3-hydroxypropyl)oxazinan-3-one
SMILESO=C1CCCON1CCCO
InChIInChI=1S/C7H13NO3/c9-5-2-4-8-7(10)3-1-6-11-8/h9H,1-6H2
InChIKeyQCXOMEWLMAVGOW-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.08
Rot. Bonds3

About 2-(3-hydroxypropyl)oxazinan-3-one

2-(3-hydroxypropyl)oxazinan-3-one (PubChem CID 105431183) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)oxazinan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)oxazinan-3-one
PubChem CID105431183
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(3-hydroxypropyl)oxazinan-3-one
SMILESO=C1CCCON1CCCO
InChIInChI=1S/C7H13NO3/c9-5-2-4-8-7(10)3-1-6-11-8/h9H,1-6H2
InChIKeyQCXOMEWLMAVGOW-UHFFFAOYSA-N
XLogP-0.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropyl)oxazinan-3-one
CID 105430957
2-(3-hydroxybutyl)oxazinan-3-one
CID 105435473
3-(3-oxooxazinan-2-yl)propanal
CID 105430622
4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
CID 150030113
4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
CID 59102707
3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
CID 105431137
2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one
CID 117029960
[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride
CID 10888858
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione
CID 106305045
5-cyclobutyl-2-(3-hydroxypropyl)-5-methyl-1,2-oxazolidin-3-one
CID 105466800

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)oxazinan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)oxazinan-3-one (CID 105431183) is 2-(3-hydroxypropyl)oxazinan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)oxazinan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)oxazinan-3-one is O=C1CCCON1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)oxazinan-3-one?
The InChIKey is QCXOMEWLMAVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-2-4-8-7(10)3-1-6-11-8/h9H,1-6H2.
What are the key properties of 2-(3-hydroxypropyl)oxazinan-3-one?
2-(3-hydroxypropyl)oxazinan-3-one has a molecular weight of 159.18 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)oxazinan-3-one is sourced from PubChem (CID 105431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).