8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene

C9H11N — CID 146609415

IUPAC8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCC1(C)Nc2ccccc21
InChIInChI=1S/C9H11N/c1-9(2)7-5-3-4-6-8(7)10-9/h3-6,10H,1-2H3
InChIKeyZQPLOXWETOLUHE-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.35
Rot. Bonds

About 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene

8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 146609415) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID146609415
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCC1(C)Nc2ccccc21
InChIInChI=1S/C9H11N/c1-9(2)7-5-3-4-6-8(7)10-9/h3-6,10H,1-2H3
InChIKeyZQPLOXWETOLUHE-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene (CID 146609415) is 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene is CC1(C)Nc2ccccc21.
What is the InChIKey of 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is ZQPLOXWETOLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-9(2)7-5-3-4-6-8(7)10-9/h3-6,10H,1-2H3.
What are the key properties of 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene?
8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 133.19 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 146609415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).