8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene

C10H11N — CID 123538429

IUPAC8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
SMILESCC1=NC2=CC(C=CC=C2)C1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(7-9)11-8/h2-5,7,9H,6H2,1H3
InChIKeyLRHVTUPNXRVJDP-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene

8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene (PubChem CID 123538429) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene.

Molecular Properties

Compound Name8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
PubChem CID123538429
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
SMILESCC1=NC2=CC(C=CC=C2)C1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(7-9)11-8/h2-5,7,9H,6H2,1H3
InChIKeyLRHVTUPNXRVJDP-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.48
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[4.3.1]deca-2,4,6(10),7-tetraene?
The IUPAC name of 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene (CID 123538429) is 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene.
What is the SMILES notation for 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
The canonical SMILES for 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene is CC1=NC2=CC(C=CC=C2)C1.
What is the InChIKey of 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
The InChIKey is LRHVTUPNXRVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(7-9)11-8/h2-5,7,9H,6H2,1H3.
What are the key properties of 8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
8-methyl-7-azabicyclo[4.3.1]deca-2,4,6(10),7-tetraene has a molecular weight of 145.20 g/mol, XLogP of 2.48, 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[4.3.1]deca-2,4,6(10),7-tetraene is sourced from PubChem (CID 123538429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).