spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide

C20H20BrN — CID 15099255

IUPACspiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide
SMILES[Br-].c1ccc2c(c1)ccc1cc3c(cc12)C[N+]1(CCCC1)C3
InChIInChI=1S/C20H20N.BrH/c1-2-6-19-15(5-1)7-8-16-11-17-13-21(9-3-4-10-21)14-18(17)12-20(16)19;/h1-2,5-8,11-12H,3-4,9-10,13-14H2;1H/q+1;/p-1
InChIKeyZIXWFXJSWUFNEX-UHFFFAOYSA-M
MW354.29 g/mol
LogP1.62
Rot. Bonds

About spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide

spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide (PubChem CID 15099255) has the molecular formula C20H20BrN and a molecular weight of 354.29 g/mol. Its IUPAC name is spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide.

Molecular Properties

Compound Namespiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide
PubChem CID15099255
Molecular FormulaC20H20BrN
Molecular Weight354.29 g/mol
Exact Mass353.08
IUPAC Namespiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide
SMILES[Br-].c1ccc2c(c1)ccc1cc3c(cc12)C[N+]1(CCCC1)C3
InChIInChI=1S/C20H20N.BrH/c1-2-6-19-15(5-1)7-8-16-11-17-13-21(9-3-4-10-21)14-18(17)12-20(16)19;/h1-2,5-8,11-12H,3-4,9-10,13-14H2;1H/q+1;/p-1
InChIKeyZIXWFXJSWUFNEX-UHFFFAOYSA-M
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide?
The IUPAC name of spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide (CID 15099255) is spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide.
What is the SMILES notation for spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide?
The canonical SMILES for spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide is [Br-].c1ccc2c(c1)ccc1cc3c(cc12)C[N+]1(CCCC1)C3.
What is the InChIKey of spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide?
The InChIKey is ZIXWFXJSWUFNEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N.BrH/c1-2-6-19-15(5-1)7-8-16-11-17-13-21(9-3-4-10-21)14-18(17)12-20(16)19;/h1-2,5-8,11-12H,3-4,9-10,13-14H2;1H/q+1;/p-1.
What are the key properties of spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide?
spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide has a molecular weight of 354.29 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide is sourced from PubChem (CID 15099255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).