2-oxa-3-azabicyclo[3.1.0]hex-4-ene

C4H5NO — CID 91496553

IUPAC2-oxa-3-azabicyclo[3.1.0]hex-4-ene
SMILESC1=C2CC2ON1
InChIInChI=1S/C4H5NO/c1-3-2-5-6-4(1)3/h2,4-5H,1H2
InChIKeyMNBSCEVQUBIKAT-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.18
Rot. Bonds

About 2-oxa-3-azabicyclo[3.1.0]hex-4-ene

2-oxa-3-azabicyclo[3.1.0]hex-4-ene (PubChem CID 91496553) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 2-oxa-3-azabicyclo[3.1.0]hex-4-ene.

Molecular Properties

Compound Name2-oxa-3-azabicyclo[3.1.0]hex-4-ene
PubChem CID91496553
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name2-oxa-3-azabicyclo[3.1.0]hex-4-ene
SMILESC1=C2CC2ON1
InChIInChI=1S/C4H5NO/c1-3-2-5-6-4(1)3/h2,4-5H,1H2
InChIKeyMNBSCEVQUBIKAT-UHFFFAOYSA-N
XLogP0.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-3-azabicyclo[3.1.0]hex-4-ene?
The IUPAC name of 2-oxa-3-azabicyclo[3.1.0]hex-4-ene (CID 91496553) is 2-oxa-3-azabicyclo[3.1.0]hex-4-ene.
What is the SMILES notation for 2-oxa-3-azabicyclo[3.1.0]hex-4-ene?
The canonical SMILES for 2-oxa-3-azabicyclo[3.1.0]hex-4-ene is C1=C2CC2ON1.
What is the InChIKey of 2-oxa-3-azabicyclo[3.1.0]hex-4-ene?
The InChIKey is MNBSCEVQUBIKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-3-2-5-6-4(1)3/h2,4-5H,1H2.
What are the key properties of 2-oxa-3-azabicyclo[3.1.0]hex-4-ene?
2-oxa-3-azabicyclo[3.1.0]hex-4-ene has a molecular weight of 83.09 g/mol, XLogP of 0.18, 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[3.1.0]hex-4-ene is sourced from PubChem (CID 91496553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).