8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene

C8H7N — CID 123769494

IUPAC8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILESCC1=c2ccccc2=N1
InChIInChI=1S/C8H7N/c1-6-7-4-2-3-5-8(7)9-6/h2-5H,1H3
InChIKeyDOSKTRRKJNRBGI-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.45
Rot. Bonds

About 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene

8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene (PubChem CID 123769494) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene.

Molecular Properties

Compound Name8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
PubChem CID123769494
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILESCC1=c2ccccc2=N1
InChIInChI=1S/C8H7N/c1-6-7-4-2-3-5-8(7)9-6/h2-5H,1H3
InChIKeyDOSKTRRKJNRBGI-UHFFFAOYSA-N
XLogP0.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The IUPAC name of 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene (CID 123769494) is 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene.
What is the SMILES notation for 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The canonical SMILES for 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene is CC1=c2ccccc2=N1.
What is the InChIKey of 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The InChIKey is DOSKTRRKJNRBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-6-7-4-2-3-5-8(7)9-6/h2-5H,1H3.
What are the key properties of 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene has a molecular weight of 117.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene is sourced from PubChem (CID 123769494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).