3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one

C10H16N2O2 — CID 83818722

IUPAC3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CC1C2CNCC21
InChIInChI=1S/C10H16N2O2/c13-10-12(2-1-3-14-10)6-9-7-4-11-5-8(7)9/h7-9,11H,1-6H2
InChIKeyIMGROOIQFJPTGC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.29
Rot. Bonds2

About 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one

3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one (PubChem CID 83818722) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one
PubChem CID83818722
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CC1C2CNCC21
InChIInChI=1S/C10H16N2O2/c13-10-12(2-1-3-14-10)6-9-7-4-11-5-8(7)9/h7-9,11H,1-6H2
InChIKeyIMGROOIQFJPTGC-UHFFFAOYSA-N
XLogP0.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one (CID 83818722) is 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one is O=C1OCCCN1CC1C2CNCC21.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one?
The InChIKey is IMGROOIQFJPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10-12(2-1-3-14-10)6-9-7-4-11-5-8(7)9/h7-9,11H,1-6H2.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one?
3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 83818722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).