2-oxa-3-azabicyclo[3.2.0]heptane

C5H9NO — CID 175043364

IUPAC2-oxa-3-azabicyclo[3.2.0]heptane
SMILESC1CC2ONCC12
InChIInChI=1S/C5H9NO/c1-2-5-4(1)3-6-7-5/h4-6H,1-3H2
InChIKeyNTLQFPZHYBMCET-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.30
Rot. Bonds

About 2-oxa-3-azabicyclo[3.2.0]heptane

2-oxa-3-azabicyclo[3.2.0]heptane (PubChem CID 175043364) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-oxa-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-oxa-3-azabicyclo[3.2.0]heptane
PubChem CID175043364
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-oxa-3-azabicyclo[3.2.0]heptane
SMILESC1CC2ONCC12
InChIInChI=1S/C5H9NO/c1-2-5-4(1)3-6-7-5/h4-6H,1-3H2
InChIKeyNTLQFPZHYBMCET-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-methylcyclohexyl)oxetane
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CID 86330104
(1S,5R)-8-methyl-3-azabicyclo[3.2.1]octane
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3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]oxazine
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Frequently Asked Questions

What is the IUPAC name of 2-oxa-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 2-oxa-3-azabicyclo[3.2.0]heptane (CID 175043364) is 2-oxa-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 2-oxa-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 2-oxa-3-azabicyclo[3.2.0]heptane is C1CC2ONCC12.
What is the InChIKey of 2-oxa-3-azabicyclo[3.2.0]heptane?
The InChIKey is NTLQFPZHYBMCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-5-4(1)3-6-7-5/h4-6H,1-3H2.
What are the key properties of 2-oxa-3-azabicyclo[3.2.0]heptane?
2-oxa-3-azabicyclo[3.2.0]heptane has a molecular weight of 99.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 175043364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).