2-(3-hydroxybutyl)oxazinan-3-one

C8H15NO3 — CID 105435473

IUPAC2-(3-hydroxybutyl)oxazinan-3-one
SMILESCC(O)CCN1OCCCC1=O
InChIInChI=1S/C8H15NO3/c1-7(10)4-5-9-8(11)3-2-6-12-9/h7,10H,2-6H2,1H3
InChIKeyVFQRPAFGZDAFCJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.31
Rot. Bonds3

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

2-(3-hydroxybutyl)oxazinan-3-one (PubChem CID 105435473) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3-hydroxybutyl)oxazinan-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutyl)oxazinan-3-one
PubChem CID105435473
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3-hydroxybutyl)oxazinan-3-one
SMILESCC(O)CCN1OCCCC1=O
InChIInChI=1S/C8H15NO3/c1-7(10)4-5-9-8(11)3-2-6-12-9/h7,10H,2-6H2,1H3
InChIKeyVFQRPAFGZDAFCJ-UHFFFAOYSA-N
XLogP0.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropyl)oxazinan-3-one
CID 105431183
4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
CID 59102707
3-(3-oxooxazinan-2-yl)propanal
CID 105430622
2-(3-aminopropyl)oxazinan-3-one
CID 105430957
1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
CID 105467990
3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
CID 105431137
4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
CID 150030113
4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione
CID 143206190
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
3-methyl-1,3-oxazepan-4-one
CID 15561483

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutyl)oxazinan-3-one?
The IUPAC name of 2-(3-hydroxybutyl)oxazinan-3-one (CID 105435473) is 2-(3-hydroxybutyl)oxazinan-3-one.
What is the SMILES notation for 2-(3-hydroxybutyl)oxazinan-3-one?
The canonical SMILES for 2-(3-hydroxybutyl)oxazinan-3-one is CC(O)CCN1OCCCC1=O.
What is the InChIKey of 2-(3-hydroxybutyl)oxazinan-3-one?
The InChIKey is VFQRPAFGZDAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(10)4-5-9-8(11)3-2-6-12-9/h7,10H,2-6H2,1H3.
What are the key properties of 2-(3-hydroxybutyl)oxazinan-3-one?
2-(3-hydroxybutyl)oxazinan-3-one has a molecular weight of 173.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutyl)oxazinan-3-one is sourced from PubChem (CID 105435473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).