11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene

C14H11NO — CID 91407166

IUPAC11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene
SMILESC1=COC2C=Cc3ccccc3C2=C/N=C\1
InChIInChI=1S/C14H11NO/c1-2-5-12-11(4-1)6-7-14-13(12)10-15-8-3-9-16-14/h1-10,14H/b9-3?,13-10?,15-8-
InChIKeyURPCKNNHCWCZMJ-GKKNFJMUSA-N
MW209.25 g/mol
LogP3.04
Rot. Bonds

About 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene

11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene (PubChem CID 91407166) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene.

Molecular Properties

Compound Name11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene
PubChem CID91407166
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene
SMILESC1=COC2C=Cc3ccccc3C2=C/N=C\1
InChIInChI=1S/C14H11NO/c1-2-5-12-11(4-1)6-7-14-13(12)10-15-8-3-9-16-14/h1-10,14H/b9-3?,13-10?,15-8-
InChIKeyURPCKNNHCWCZMJ-GKKNFJMUSA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene?
The IUPAC name of 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene (CID 91407166) is 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene.
What is the SMILES notation for 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene?
The canonical SMILES for 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene is C1=COC2C=Cc3ccccc3C2=C/N=C\1.
What is the InChIKey of 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene?
The InChIKey is URPCKNNHCWCZMJ-GKKNFJMUSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-5-12-11(4-1)6-7-14-13(12)10-15-8-3-9-16-14/h1-10,14H/b9-3?,13-10?,15-8-.
What are the key properties of 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene?
11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene has a molecular weight of 209.25 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-15-azatricyclo[8.6.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaene is sourced from PubChem (CID 91407166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).