1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one

C14H15NO2 — CID 175765351

IUPAC1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one
SMILESO=C1[NH+]([O-])c2ccccc2C12CC1CCC2C1
InChIInChI=1S/C14H15NO2/c16-13-14(8-9-5-6-10(14)7-9)11-3-1-2-4-12(11)15(13)17/h1-4,9-10,15H,5-8H2
InChIKeyRWTQSIIUJOSZQC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.30
Rot. Bonds

About 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one

1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 175765351) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one
PubChem CID175765351
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one
SMILESO=C1[NH+]([O-])c2ccccc2C12CC1CCC2C1
InChIInChI=1S/C14H15NO2/c16-13-14(8-9-5-6-10(14)7-9)11-3-1-2-4-12(11)15(13)17/h1-4,9-10,15H,5-8H2
InChIKeyRWTQSIIUJOSZQC-UHFFFAOYSA-N
XLogP1.30
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R)-spiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 54178229
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol
CID 162029011
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate
CID 159161137
N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
CID 167288875
spiro[1,3-benzodioxine-2,2'-bicyclo[2.2.1]heptane]-4-one
CID 176765964
2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
CID 90802702
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;terephthalic acid
CID 67828856
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
(1R,2R,4S)-N-(3-methylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 171720729
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502

Frequently Asked Questions

What is the IUPAC name of 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one (CID 175765351) is 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one is O=C1[NH+]([O-])c2ccccc2C12CC1CCC2C1.
What is the InChIKey of 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is RWTQSIIUJOSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-14(8-9-5-6-10(14)7-9)11-3-1-2-4-12(11)15(13)17/h1-4,9-10,15H,5-8H2.
What are the key properties of 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one?
1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 175765351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).