(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one

C13H11NO — CID 98554052

IUPAC(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one
SMILESO=C1N[C@H]2C=Cc3ccccc3[C@H]1C=C2
InChIInChI=1S/C13H11NO/c15-13-12-8-7-10(14-13)6-5-9-3-1-2-4-11(9)12/h1-8,10,12H,(H,14,15)/t10-,12+/m0/s1
InChIKeyATAPBDNYDVXEHR-CMPLNLGQSA-N
MW197.24 g/mol
LogP1.85
Rot. Bonds

About (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one

(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one (PubChem CID 98554052) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one.

Molecular Properties

Compound Name(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one
PubChem CID98554052
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one
SMILESO=C1N[C@H]2C=Cc3ccccc3[C@H]1C=C2
InChIInChI=1S/C13H11NO/c15-13-12-8-7-10(14-13)6-5-9-3-1-2-4-11(9)12/h1-8,10,12H,(H,14,15)/t10-,12+/m0/s1
InChIKeyATAPBDNYDVXEHR-CMPLNLGQSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one with MolForge

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Related Compounds

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1-[3-(1H-inden-1-yl)phenyl]-1H-indene
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(1S,10S,11S,16R)-14-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-15-one
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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one?
The IUPAC name of (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one (CID 98554052) is (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one.
What is the SMILES notation for (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one?
The canonical SMILES for (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one is O=C1N[C@H]2C=Cc3ccccc3[C@H]1C=C2.
What is the InChIKey of (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one?
The InChIKey is ATAPBDNYDVXEHR-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H11NO/c15-13-12-8-7-10(14-13)6-5-9-3-1-2-4-11(9)12/h1-8,10,12H,(H,14,15)/t10-,12+/m0/s1.
What are the key properties of (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one?
(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one has a molecular weight of 197.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one is sourced from PubChem (CID 98554052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).