2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene

C10H7N — CID 123284874

IUPAC2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
SMILESC1=CC=c2ccccc2=NC=1
InChIInChI=1S/C10H7N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-3,5-8H
InChIKeyHCDMGRZPNDZQMU-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.77
Rot. Bonds

About 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene

2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene (PubChem CID 123284874) has the molecular formula C10H7N and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene.

Molecular Properties

Compound Name2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
PubChem CID123284874
Molecular FormulaC10H7N
Molecular Weight141.17 g/mol
Exact Mass141.06
IUPAC Name2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
SMILESC1=CC=c2ccccc2=NC=1
InChIInChI=1S/C10H7N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-3,5-8H
InChIKeyHCDMGRZPNDZQMU-UHFFFAOYSA-N
XLogP0.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene?
The IUPAC name of 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene (CID 123284874) is 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene.
What is the SMILES notation for 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene?
The canonical SMILES for 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene is C1=CC=c2ccccc2=NC=1.
What is the InChIKey of 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene?
The InChIKey is HCDMGRZPNDZQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-3,5-8H.
What are the key properties of 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene?
2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene has a molecular weight of 141.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene is sourced from PubChem (CID 123284874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).