6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene

C8H13NO — CID 91700794

IUPAC6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene
SMILESCC12CCCCC(=NO1)C2
InChIInChI=1S/C8H13NO/c1-8-5-3-2-4-7(6-8)9-10-8/h2-6H2,1H3
InChIKeyYBLAPEHYRAJWHE-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.10
Rot. Bonds

About 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene

6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene (PubChem CID 91700794) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene.

Molecular Properties

Compound Name6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene
PubChem CID91700794
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene
SMILESCC12CCCCC(=NO1)C2
InChIInChI=1S/C8H13NO/c1-8-5-3-2-4-7(6-8)9-10-8/h2-6H2,1H3
InChIKeyYBLAPEHYRAJWHE-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene?
The IUPAC name of 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene (CID 91700794) is 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene.
What is the SMILES notation for 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene?
The canonical SMILES for 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene is CC12CCCCC(=NO1)C2.
What is the InChIKey of 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene?
The InChIKey is YBLAPEHYRAJWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8-5-3-2-4-7(6-8)9-10-8/h2-6H2,1H3.
What are the key properties of 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene?
6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene has a molecular weight of 139.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene is sourced from PubChem (CID 91700794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).