9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate

C15H8N2O2 — CID 12681111

IUPAC9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate
SMILESN#[N+]c1c([O-])c2ccccc2c2ccccc2c1=O
InChIInChI=1S/C15H8N2O2/c16-17-13-14(18)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15(13)19/h1-8H
InChIKeyPPSPKFUXYVVKOT-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.91
Rot. Bonds

About 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate

9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate (PubChem CID 12681111) has the molecular formula C15H8N2O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate.

Molecular Properties

Compound Name9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate
PubChem CID12681111
Molecular FormulaC15H8N2O2
Molecular Weight248.24 g/mol
Exact Mass248.06
IUPAC Name9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate
SMILESN#[N+]c1c([O-])c2ccccc2c2ccccc2c1=O
InChIInChI=1S/C15H8N2O2/c16-17-13-14(18)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15(13)19/h1-8H
InChIKeyPPSPKFUXYVVKOT-UHFFFAOYSA-N
XLogP2.91
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate?
The IUPAC name of 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate (CID 12681111) is 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate.
What is the SMILES notation for 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate?
The canonical SMILES for 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate is N#[N+]c1c([O-])c2ccccc2c2ccccc2c1=O.
What is the InChIKey of 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate?
The InChIKey is PPSPKFUXYVVKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2/c16-17-13-14(18)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15(13)19/h1-8H.
What are the key properties of 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate?
9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate has a molecular weight of 248.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-diazonio-10-oxotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-olate is sourced from PubChem (CID 12681111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).