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

C5H7NO — CID 59761113

IUPAC3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene
SMILESCC1=NC2CC2O1
InChIInChI=1S/C5H7NO/c1-3-6-4-2-5(4)7-3/h4-5H,2H2,1H3
InChIKeyIJTCRCCMNHYTJP-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.58
Rot. Bonds

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

3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene (PubChem CID 59761113) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene
PubChem CID59761113
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene
SMILESCC1=NC2CC2O1
InChIInChI=1S/C5H7NO/c1-3-6-4-2-5(4)7-3/h4-5H,2H2,1H3
InChIKeyIJTCRCCMNHYTJP-UHFFFAOYSA-N
XLogP0.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene (CID 59761113) is 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene is CC1=NC2CC2O1.
What is the InChIKey of 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is IJTCRCCMNHYTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-3-6-4-2-5(4)7-3/h4-5H,2H2,1H3.
What are the key properties of 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene?
3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 97.12 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxa-4-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 59761113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).