11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene

C14H11NO — CID 135799856

IUPAC11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene
SMILESc1ccc2c(ccc3ccccc32)o[nH]c1
InChIInChI=1S/C14H11NO/c1-2-6-12-11(5-1)8-9-14-13(12)7-3-4-10-15-16-14/h1-10,15H/b7-3-,10-4-
InChIKeyMQUBOGPAUFHORC-BHMKDNBBSA-N
MW209.25 g/mol
LogP4.04
Rot. Bonds

About 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene

11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene (PubChem CID 135799856) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene.

Molecular Properties

Compound Name11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene
PubChem CID135799856
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene
SMILESc1ccc2c(ccc3ccccc32)o[nH]c1
InChIInChI=1S/C14H11NO/c1-2-6-12-11(5-1)8-9-14-13(12)7-3-4-10-15-16-14/h1-10,15H/b7-3-,10-4-
InChIKeyMQUBOGPAUFHORC-BHMKDNBBSA-N
XLogP4.04
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene?
The IUPAC name of 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene (CID 135799856) is 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene.
What is the SMILES notation for 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene?
The canonical SMILES for 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene is c1ccc2c(ccc3ccccc32)o[nH]c1.
What is the InChIKey of 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene?
The InChIKey is MQUBOGPAUFHORC-BHMKDNBBSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-6-12-11(5-1)8-9-14-13(12)7-3-4-10-15-16-14/h1-10,15H/b7-3-,10-4-.
What are the key properties of 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene?
11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene has a molecular weight of 209.25 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene is sourced from PubChem (CID 135799856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).