(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene

C15H15NO — CID 67721503

IUPAC(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)OC[C@H]1CNC[C@H]31
InChIInChI=1S/C15H15NO/c1-2-4-12-10(3-1)5-6-14-15(12)13-8-16-7-11(13)9-17-14/h1-6,11,13,16H,7-9H2/t11-,13+/m1/s1
InChIKeyTTWAXOWGLOFVPH-YPMHNXCESA-N
MW225.29 g/mol
LogP2.54
Rot. Bonds

About (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene

(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene (PubChem CID 67721503) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
PubChem CID67721503
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)OC[C@H]1CNC[C@H]31
InChIInChI=1S/C15H15NO/c1-2-4-12-10(3-1)5-6-14-15(12)13-8-16-7-11(13)9-17-14/h1-6,11,13,16H,7-9H2/t11-,13+/m1/s1
InChIKeyTTWAXOWGLOFVPH-YPMHNXCESA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene (CID 67721503) is (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene is c1ccc2c3c(ccc2c1)OC[C@H]1CNC[C@H]31.
What is the InChIKey of (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
The InChIKey is TTWAXOWGLOFVPH-YPMHNXCESA-N. The full InChI is InChI=1S/C15H15NO/c1-2-4-12-10(3-1)5-6-14-15(12)13-8-16-7-11(13)9-17-14/h1-6,11,13,16H,7-9H2/t11-,13+/m1/s1.
What are the key properties of (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene has a molecular weight of 225.29 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 67721503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).