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

C6H9NO — CID 90441883

IUPAC4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESCCC1=NOC2CC12
InChIInChI=1S/C6H9NO/c1-2-5-4-3-6(4)8-7-5/h4,6H,2-3H2,1H3
InChIKeyAWVOCUOJNXXJSJ-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.17
Rot. Bonds1

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

4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 90441883) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID90441883
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESCCC1=NOC2CC12
InChIInChI=1S/C6H9NO/c1-2-5-4-3-6(4)8-7-5/h4,6H,2-3H2,1H3
InChIKeyAWVOCUOJNXXJSJ-UHFFFAOYSA-N
XLogP1.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 20671522
3-propan-2-yl-5,6-dihydro-4H-oxazine
CID 58473781
(5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 59444351
3-Methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 68254842
4,5-Dimethyl-3-propyl-4,5-dihydro-1,2-oxazole
CID 89205043
4-Methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
CID 118990144
3,4,6-trimethyl-5,6-dihydro-4H-oxazine
CID 123341814
3-Cyclopropyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 134260840
3-Cyclopropyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 138691965
5-Cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566266
5-(Cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566315
3-(2-Methylpropyl)-4,5-dihydro-1,2-oxazole
CID 147593633

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 90441883) is 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is CCC1=NOC2CC12.
What is the InChIKey of 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is AWVOCUOJNXXJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-4-3-6(4)8-7-5/h4,6H,2-3H2,1H3.
What are the key properties of 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 111.14 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 90441883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).