1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium

C8H8N2O2 — CID 130321653

IUPAC1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium
SMILES[O-][N+]1=CC=CC2C1=CC=C[NH+]2[O-]
InChIInChI=1S/C8H8N2O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-7,10H
InChIKeyAZXNDYOEMJMTTO-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.70
Rot. Bonds

About 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium

1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium (PubChem CID 130321653) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium.

Molecular Properties

Compound Name1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium
PubChem CID130321653
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium
SMILES[O-][N+]1=CC=CC2C1=CC=C[NH+]2[O-]
InChIInChI=1S/C8H8N2O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-7,10H
InChIKeyAZXNDYOEMJMTTO-UHFFFAOYSA-N
XLogP-0.70
TPSA53.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium?
The IUPAC name of 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium (CID 130321653) is 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium.
What is the SMILES notation for 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium?
The canonical SMILES for 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium is [O-][N+]1=CC=CC2C1=CC=C[NH+]2[O-].
What is the InChIKey of 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium?
The InChIKey is AZXNDYOEMJMTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-7,10H.
What are the key properties of 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium?
1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium has a molecular weight of 164.16 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxido-1,8a-dihydro-1,5-naphthyridine-1,5-diium is sourced from PubChem (CID 130321653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).