8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene

C7H11NO — CID 147642153

IUPAC8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene
SMILESCN1C2=COCC1CC2
InChIInChI=1S/C7H11NO/c1-8-6-2-3-7(8)5-9-4-6/h4,7H,2-3,5H2,1H3
InChIKeyGHVHEUQYYNLZRT-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.95
Rot. Bonds

About 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene

8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene (PubChem CID 147642153) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene
PubChem CID147642153
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene
SMILESCN1C2=COCC1CC2
InChIInChI=1S/C7H11NO/c1-8-6-2-3-7(8)5-9-4-6/h4,7H,2-3,5H2,1H3
InChIKeyGHVHEUQYYNLZRT-UHFFFAOYSA-N
XLogP0.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene?
The IUPAC name of 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene (CID 147642153) is 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene?
The canonical SMILES for 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene is CN1C2=COCC1CC2.
What is the InChIKey of 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene?
The InChIKey is GHVHEUQYYNLZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-2-3-7(8)5-9-4-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene?
8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene has a molecular weight of 125.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-oxa-8-azabicyclo[3.2.1]oct-1-ene is sourced from PubChem (CID 147642153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).