3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one

C10H16N2O3 — CID 66211132

IUPAC3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one
SMILESNC1C2CCOC2C1N1CCCOC1=O
InChIInChI=1S/C10H16N2O3/c11-7-6-2-5-14-9(6)8(7)12-3-1-4-15-10(12)13/h6-9H,1-5,11H2
InChIKeyWNSKDZASNPONJA-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.06
Rot. Bonds1

About 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one

3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one (PubChem CID 66211132) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one
PubChem CID66211132
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one
SMILESNC1C2CCOC2C1N1CCCOC1=O
InChIInChI=1S/C10H16N2O3/c11-7-6-2-5-14-9(6)8(7)12-3-1-4-15-10(12)13/h6-9H,1-5,11H2
InChIKeyWNSKDZASNPONJA-UHFFFAOYSA-N
XLogP-0.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-methylpyrrole-2,5-dione
CID 66212292
3-(3-aminocyclobutyl)-1,3-oxazinan-2-one
CID 61348854
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione
CID 66213508
2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887203
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazepan-2-one;hydrochloride
CID 175007137
3-piperidin-4-yl-1,3-oxazinan-2-one
CID 22137522
2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392916
4-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 66212729
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
CID 138598218
1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
CID 82762864
3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
CID 66032181
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione
CID 66212149

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one (CID 66211132) is 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one is NC1C2CCOC2C1N1CCCOC1=O.
What is the InChIKey of 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one?
The InChIKey is WNSKDZASNPONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-7-6-2-5-14-9(6)8(7)12-3-1-4-15-10(12)13/h6-9H,1-5,11H2.
What are the key properties of 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one?
3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 66211132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).