2-oxa-6-azabicyclo[3.2.0]heptane

C5H9NO — CID 18923028

IUPAC2-oxa-6-azabicyclo[3.2.0]heptane
SMILESC1CC2NCC2O1
InChIInChI=1S/C5H9NO/c1-2-7-5-3-6-4(1)5/h4-6H,1-3H2
InChIKeyXXYHSNJHVRBNDW-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.25
Rot. Bonds

About 2-oxa-6-azabicyclo[3.2.0]heptane

2-oxa-6-azabicyclo[3.2.0]heptane (PubChem CID 18923028) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-oxa-6-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-oxa-6-azabicyclo[3.2.0]heptane
PubChem CID18923028
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-oxa-6-azabicyclo[3.2.0]heptane
SMILESC1CC2NCC2O1
InChIInChI=1S/C5H9NO/c1-2-7-5-3-6-4(1)5/h4-6H,1-3H2
InChIKeyXXYHSNJHVRBNDW-UHFFFAOYSA-N
XLogP-0.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1R,5R)-2-oxa-6-azabicyclo(3.2.0)heptane hydrochloride
CID 132342075
rac-(1R,5R)-2-oxa-6-azabicyclo[3.2.0]heptane
CID 132342076
6-Oxa-2-azabicyclo[3.2.0]heptane
CID 67108485
6-Methyl-2-oxa-6-azabicyclo[3.2.0]heptane
CID 89716251
6-Ethyl-2-oxa-6-azabicyclo[3.2.0]heptane
CID 117685099
CID 130794723
CID 130794723
(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane
CID 166686594
2-Oxa-6-azabicyclo[3.2.0]heptane;hydrochloride
CID 167994535
(5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane
CID 169613177
(1S,5S)-6-methyl-2-oxa-6-azabicyclo[3.2.0]heptane
CID 169637909
(1R,5R)-6-methyl-2-oxa-6-azabicyclo[3.2.0]heptane
CID 169639755
1-[(1R,5R)-2-oxa-6-azabicyclo[3.2.0]heptan-6-yl]ethanamine
CID 169640413

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azabicyclo[3.2.0]heptane?
The IUPAC name of 2-oxa-6-azabicyclo[3.2.0]heptane (CID 18923028) is 2-oxa-6-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 2-oxa-6-azabicyclo[3.2.0]heptane?
The canonical SMILES for 2-oxa-6-azabicyclo[3.2.0]heptane is C1CC2NCC2O1.
What is the InChIKey of 2-oxa-6-azabicyclo[3.2.0]heptane?
The InChIKey is XXYHSNJHVRBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-7-5-3-6-4(1)5/h4-6H,1-3H2.
What are the key properties of 2-oxa-6-azabicyclo[3.2.0]heptane?
2-oxa-6-azabicyclo[3.2.0]heptane has a molecular weight of 99.13 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 18923028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).