6-oxa-2-azabicyclo[3.2.0]heptane

C5H9NO — CID 67108485

IUPAC6-oxa-2-azabicyclo[3.2.0]heptane
SMILESC1CC2OCC2N1
InChIInChI=1S/C5H9NO/c1-2-6-4-3-7-5(1)4/h4-6H,1-3H2
InChIKeyCNJMCPIOOOZQFT-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.25
Rot. Bonds

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

6-oxa-2-azabicyclo[3.2.0]heptane (PubChem CID 67108485) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 6-oxa-2-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-oxa-2-azabicyclo[3.2.0]heptane
PubChem CID67108485
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name6-oxa-2-azabicyclo[3.2.0]heptane
SMILESC1CC2OCC2N1
InChIInChI=1S/C5H9NO/c1-2-6-4-3-7-5(1)4/h4-6H,1-3H2
InChIKeyCNJMCPIOOOZQFT-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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Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-oxa-2-azabicyclo[3.2.0]heptane (CID 67108485) is 6-oxa-2-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-oxa-2-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-oxa-2-azabicyclo[3.2.0]heptane is C1CC2OCC2N1.
What is the InChIKey of 6-oxa-2-azabicyclo[3.2.0]heptane?
The InChIKey is CNJMCPIOOOZQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-6-4-3-7-5(1)4/h4-6H,1-3H2.
What are the key properties of 6-oxa-2-azabicyclo[3.2.0]heptane?
6-oxa-2-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 6-oxa-2-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 67108485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).