5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one

C9H15NO3 — CID 117011129

IUPAC5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCN1CC(CCO)COC1=O
InChIInChI=1S/C9H15NO3/c1-2-4-10-6-8(3-5-11)7-13-9(10)12/h2,8,11H,1,3-7H2
InChIKeyXTTYBOIRYVTISJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds4

About 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one

5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 117011129) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID117011129
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCN1CC(CCO)COC1=O
InChIInChI=1S/C9H15NO3/c1-2-4-10-6-8(3-5-11)7-13-9(10)12/h2,8,11H,1,3-7H2
InChIKeyXTTYBOIRYVTISJ-UHFFFAOYSA-N
XLogP0.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxyethyl)-3-(3-methoxypropyl)-1,3-oxazinan-2-one
CID 117011136
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
3-prop-2-enyl-1,3-oxazolidin-2-one;silane
CID 175362572
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
5-(hydroxymethyl)-3-(2-morpholin-4-ylethyl)-1,3-oxazinan-2-one
CID 117011506
2-(3-ethyl-2-oxo-1,3-oxazinan-5-yl)acetic acid
CID 117002133
3-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011507
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
CID 117002464
4-ethenyl-3-hydroxy-1,3-oxazolidin-2-one
CID 134839324
4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 115064054
(4S)-4-[(1R)-1-hydroxyprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 42645440

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one (CID 117011129) is 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one is C=CCN1CC(CCO)COC1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is XTTYBOIRYVTISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-4-10-6-8(3-5-11)7-13-9(10)12/h2,8,11H,1,3-7H2.
What are the key properties of 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one?
5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117011129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).