1,3-oxazinan-3-yl acetate

C6H11NO3 — CID 10486979

IUPAC1,3-oxazinan-3-yl acetate
SMILESCC(=O)ON1CCCOC1
InChIInChI=1S/C6H11NO3/c1-6(8)10-7-3-2-4-9-5-7/h2-5H2,1H3
InChIKeyYWTYPMXOGYFVEE-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.14
Rot. Bonds1

About 1,3-oxazinan-3-yl acetate

1,3-oxazinan-3-yl acetate (PubChem CID 10486979) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1,3-oxazinan-3-yl acetate.

Molecular Properties

Compound Name1,3-oxazinan-3-yl acetate
PubChem CID10486979
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1,3-oxazinan-3-yl acetate
SMILESCC(=O)ON1CCCOC1
InChIInChI=1S/C6H11NO3/c1-6(8)10-7-3-2-4-9-5-7/h2-5H2,1H3
InChIKeyYWTYPMXOGYFVEE-UHFFFAOYSA-N
XLogP0.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-oxazinan-3-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl acetate
CID 67537261
3-methoxy-1,3-oxazinane
CID 146666931
benzene;piperidin-1-yl acetate
CID 66953580
1-(1,3-oxazinan-3-yl)butane-1,3-dione
CID 130522580
piperazin-1-yl acetate
CID 54492305
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
oxolane;propan-2-one
CID 22559816
acetyl acetate;1,3-dioxane
CID 174949221
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
(3-ethenylpyrrolidin-1-yl) acetate
CID 169150395
2,3-dimethyl-4-(1,4-oxazepan-4-yl)-4-oxobut-2-enoic acid
CID 76992411
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazinan-3-yl acetate?
The IUPAC name of 1,3-oxazinan-3-yl acetate (CID 10486979) is 1,3-oxazinan-3-yl acetate.
What is the SMILES notation for 1,3-oxazinan-3-yl acetate?
The canonical SMILES for 1,3-oxazinan-3-yl acetate is CC(=O)ON1CCCOC1.
What is the InChIKey of 1,3-oxazinan-3-yl acetate?
The InChIKey is YWTYPMXOGYFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(8)10-7-3-2-4-9-5-7/h2-5H2,1H3.
What are the key properties of 1,3-oxazinan-3-yl acetate?
1,3-oxazinan-3-yl acetate has a molecular weight of 145.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazinan-3-yl acetate is sourced from PubChem (CID 10486979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).