11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one

C12H11NO2 — CID 121002695

IUPAC11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one
SMILESO=C1NC(O)C2C=CC1c1ccccc12
InChIInChI=1S/C12H11NO2/c14-11-9-5-6-10(12(15)13-11)8-4-2-1-3-7(8)9/h1-6,9-11,14H,(H,13,15)
InChIKeySKXXICFJIJPQMT-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.87
Rot. Bonds

About 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one

11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one (PubChem CID 121002695) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one.

Molecular Properties

Compound Name11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one
PubChem CID121002695
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one
SMILESO=C1NC(O)C2C=CC1c1ccccc12
InChIInChI=1S/C12H11NO2/c14-11-9-5-6-10(12(15)13-11)8-4-2-1-3-7(8)9/h1-6,9-11,14H,(H,13,15)
InChIKeySKXXICFJIJPQMT-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,8S,9S,12R)-10-azatetracyclo[6.4.2.29,12.02,7]hexadeca-2,4,6,13,15-pentaen-11-one
CID 10846733
(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one
CID 98554052
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
CID 101227628
tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
CID 130147962
(1S,8S)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one
CID 124539739
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 627836
(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
CID 95564771
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde
CID 11830355
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one?
The IUPAC name of 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one (CID 121002695) is 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one.
What is the SMILES notation for 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one?
The canonical SMILES for 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one is O=C1NC(O)C2C=CC1c1ccccc12.
What is the InChIKey of 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one?
The InChIKey is SKXXICFJIJPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-9-5-6-10(12(15)13-11)8-4-2-1-3-7(8)9/h1-6,9-11,14H,(H,13,15).
What are the key properties of 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one?
11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one has a molecular weight of 201.22 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one is sourced from PubChem (CID 121002695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).