spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]

C12H12N2O3 — CID 14945136

IUPACspiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]
SMILESc1c2c(cc3nonc13)OC1(CCCCC1)O2
InChIInChI=1S/C12H12N2O3/c1-2-4-12(5-3-1)15-10-6-8-9(14-17-13-8)7-11(10)16-12/h6-7H,1-5H2
InChIKeyJSYCUFXPWIJORF-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.65
Rot. Bonds

About spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]

spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane] (PubChem CID 14945136) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane].

Molecular Properties

Compound Namespiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]
PubChem CID14945136
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namespiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]
SMILESc1c2c(cc3nonc13)OC1(CCCCC1)O2
InChIInChI=1S/C12H12N2O3/c1-2-4-12(5-3-1)15-10-6-8-9(14-17-13-8)7-11(10)16-12/h6-7H,1-5H2
InChIKeyJSYCUFXPWIJORF-UHFFFAOYSA-N
XLogP2.65
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane] with MolForge

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Related Compounds

5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde
CID 104826749
2-amino-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylethanol
CID 117376316
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
CID 117373853
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385
2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)acetonitrile
CID 117377922
4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 10655331
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
CID 117436350
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
CID 117420668
6-aminospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-carboxylic acid
CID 84797262
copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]
CID 15970108
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881

Frequently Asked Questions

What is the IUPAC name of spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]?
The IUPAC name of spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane] (CID 14945136) is spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane].
What is the SMILES notation for spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]?
The canonical SMILES for spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane] is c1c2c(cc3nonc13)OC1(CCCCC1)O2.
What is the InChIKey of spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]?
The InChIKey is JSYCUFXPWIJORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-4-12(5-3-1)15-10-6-8-9(14-17-13-8)7-11(10)16-12/h6-7H,1-5H2.
What are the key properties of spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]?
spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane] has a molecular weight of 232.24 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane] is sourced from PubChem (CID 14945136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).