8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one

C14H11NO2 — CID 71768277

IUPAC8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one
SMILESO=c1oc2ccccc2c2cc3n(c12)CCC3
InChIInChI=1S/C14H11NO2/c16-14-13-11(8-9-4-3-7-15(9)13)10-5-1-2-6-12(10)17-14/h1-2,5-6,8H,3-4,7H2
InChIKeyLBNOOTYCINPCNC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds

About 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one

8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one (PubChem CID 71768277) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one.

Molecular Properties

Compound Name8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one
PubChem CID71768277
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one
SMILESO=c1oc2ccccc2c2cc3n(c12)CCC3
InChIInChI=1S/C14H11NO2/c16-14-13-11(8-9-4-3-7-15(9)13)10-5-1-2-6-12(10)17-14/h1-2,5-6,8H,3-4,7H2
InChIKeyLBNOOTYCINPCNC-UHFFFAOYSA-N
XLogP2.69
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one?
The IUPAC name of 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one (CID 71768277) is 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one.
What is the SMILES notation for 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one?
The canonical SMILES for 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one is O=c1oc2ccccc2c2cc3n(c12)CCC3.
What is the InChIKey of 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one?
The InChIKey is LBNOOTYCINPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-13-11(8-9-4-3-7-15(9)13)10-5-1-2-6-12(10)17-14/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one?
8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one has a molecular weight of 225.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one is sourced from PubChem (CID 71768277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).