(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene

C12H15N — CID 88564023

IUPAC(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene
SMILESC1=CC/C=C\C=C2\CCCCNC=12
InChIInChI=1S/C12H15N/c1-2-4-9-12-11(7-3-1)8-5-6-10-13-12/h1,3-4,7,13H,2,5-6,8,10H2/b3-1-,11-7-
InChIKeyKAXYLMPDCBWOGO-KPIYWUGYSA-N
MW173.26 g/mol
LogP2.69
Rot. Bonds

About (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene

(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene (PubChem CID 88564023) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene
PubChem CID88564023
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene
SMILESC1=CC/C=C\C=C2\CCCCNC=12
InChIInChI=1S/C12H15N/c1-2-4-9-12-11(7-3-1)8-5-6-10-13-12/h1,3-4,7,13H,2,5-6,8,10H2/b3-1-,11-7-
InChIKeyKAXYLMPDCBWOGO-KPIYWUGYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene?
The IUPAC name of (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene (CID 88564023) is (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene.
What is the SMILES notation for (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene?
The canonical SMILES for (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene is C1=CC/C=C\C=C2\CCCCNC=12.
What is the InChIKey of (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene?
The InChIKey is KAXYLMPDCBWOGO-KPIYWUGYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-9-12-11(7-3-1)8-5-6-10-13-12/h1,3-4,7,13H,2,5-6,8,10H2/b3-1-,11-7-.
What are the key properties of (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene?
(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene has a molecular weight of 173.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene is sourced from PubChem (CID 88564023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).