3-(3-aminocyclobutyl)-1,3-oxazinan-2-one

C8H14N2O2 — CID 61348854

IUPAC3-(3-aminocyclobutyl)-1,3-oxazinan-2-one
SMILESNC1CC(N2CCCOC2=O)C1
InChIInChI=1S/C8H14N2O2/c9-6-4-7(5-6)10-2-1-3-12-8(10)11/h6-7H,1-5,9H2
InChIKeyJFBPOYYSNXPTHR-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.32
Rot. Bonds1

About 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one

3-(3-aminocyclobutyl)-1,3-oxazinan-2-one (PubChem CID 61348854) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-aminocyclobutyl)-1,3-oxazinan-2-one
PubChem CID61348854
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(3-aminocyclobutyl)-1,3-oxazinan-2-one
SMILESNC1CC(N2CCCOC2=O)C1
InChIInChI=1S/C8H14N2O2/c9-6-4-7(5-6)10-2-1-3-12-8(10)11/h6-7H,1-5,9H2
InChIKeyJFBPOYYSNXPTHR-UHFFFAOYSA-N
XLogP0.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-1,3-oxazinan-2-one
CID 22137522
3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
CID 66032181
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazepan-2-one;hydrochloride
CID 175007137
3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one
CID 66211132
6-aminooxy-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one
CID 167119887
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
CID 138598218
3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
CID 170450240
3-nitroso-1,3-oxazinan-2-one
CID 13415149
ethane;2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c][1,3]oxazin-6-one
CID 145416397
2-[3-(2-oxo-1,3-oxazolidin-3-yl)cyclopentyl]acetic acid
CID 130702570
3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one
CID 123312305
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one (CID 61348854) is 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one is NC1CC(N2CCCOC2=O)C1.
What is the InChIKey of 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one?
The InChIKey is JFBPOYYSNXPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-6-4-7(5-6)10-2-1-3-12-8(10)11/h6-7H,1-5,9H2.
What are the key properties of 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one?
3-(3-aminocyclobutyl)-1,3-oxazinan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclobutyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 61348854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).