7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene

C10H9N3O6 — CID 15013607

IUPAC7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene
SMILESO=[N+]([O-])c1cc2c(c3c1no[n+]3[O-])OCCCCO2
InChIInChI=1S/C10H9N3O6/c14-12(15)6-5-7-10(18-4-2-1-3-17-7)9-8(6)11-19-13(9)16/h5H,1-4H2
InChIKeyWRYVNZLVDXJCAJ-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.92
Rot. Bonds1

About 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene

7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene (PubChem CID 15013607) has the molecular formula C10H9N3O6 and a molecular weight of 267.20 g/mol. Its IUPAC name is 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene.

Molecular Properties

Compound Name7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene
PubChem CID15013607
Molecular FormulaC10H9N3O6
Molecular Weight267.20 g/mol
Exact Mass267.05
IUPAC Name7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene
SMILESO=[N+]([O-])c1cc2c(c3c1no[n+]3[O-])OCCCCO2
InChIInChI=1S/C10H9N3O6/c14-12(15)6-5-7-10(18-4-2-1-3-17-7)9-8(6)11-19-13(9)16/h5H,1-4H2
InChIKeyWRYVNZLVDXJCAJ-UHFFFAOYSA-N
XLogP0.92
TPSA114.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene?
The IUPAC name of 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene (CID 15013607) is 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene.
What is the SMILES notation for 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene?
The canonical SMILES for 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene is O=[N+]([O-])c1cc2c(c3c1no[n+]3[O-])OCCCCO2.
What is the InChIKey of 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene?
The InChIKey is WRYVNZLVDXJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O6/c14-12(15)6-5-7-10(18-4-2-1-3-17-7)9-8(6)11-19-13(9)16/h5H,1-4H2.
What are the key properties of 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene?
7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene has a molecular weight of 267.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-3-oxido-4,10,15-trioxa-5-aza-3-azoniatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene is sourced from PubChem (CID 15013607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).