8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C15H11NO — CID 70511631

IUPAC8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)cccnoc1ccccc12
InChIInChI=1S/C15H11NO/c1-2-8-13-12(6-1)7-5-11-16-17-15-10-4-3-9-14(13)15/h1-11H/b7-5-,16-11-
InChIKeyLBMMUGOTRKIKQA-LWRLPXSWSA-N
MW221.26 g/mol
LogP4.11
Rot. Bonds

About 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene

8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 70511631) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID70511631
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)cccnoc1ccccc12
InChIInChI=1S/C15H11NO/c1-2-8-13-12(6-1)7-5-11-16-17-15-10-4-3-9-14(13)15/h1-11H/b7-5-,16-11-
InChIKeyLBMMUGOTRKIKQA-LWRLPXSWSA-N
XLogP4.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 70511631) is 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc2c(c1)cccnoc1ccccc12.
What is the InChIKey of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is LBMMUGOTRKIKQA-LWRLPXSWSA-N. The full InChI is InChI=1S/C15H11NO/c1-2-8-13-12(6-1)7-5-11-16-17-15-10-4-3-9-14(13)15/h1-11H/b7-5-,16-11-.
What are the key properties of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 221.26 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 70511631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).