6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one

C12H7NO2 — CID 59457780

IUPAC6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
SMILESO=c1c2cccnc2ccc2occc12
InChIInChI=1S/C12H7NO2/c14-12-8-2-1-6-13-10(8)3-4-11-9(12)5-7-15-11/h1-7H
InChIKeyVWUJRGUYZQSIIW-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.34
Rot. Bonds

About 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one

6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one (PubChem CID 59457780) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one.

Molecular Properties

Compound Name6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
PubChem CID59457780
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
SMILESO=c1c2cccnc2ccc2occc12
InChIInChI=1S/C12H7NO2/c14-12-8-2-1-6-13-10(8)3-4-11-9(12)5-7-15-11/h1-7H
InChIKeyVWUJRGUYZQSIIW-UHFFFAOYSA-N
XLogP2.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one?
The IUPAC name of 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one (CID 59457780) is 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one.
What is the SMILES notation for 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one?
The canonical SMILES for 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one is O=c1c2cccnc2ccc2occc12.
What is the InChIKey of 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one?
The InChIKey is VWUJRGUYZQSIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-12-8-2-1-6-13-10(8)3-4-11-9(12)5-7-15-11/h1-7H.
What are the key properties of 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one?
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one has a molecular weight of 197.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one is sourced from PubChem (CID 59457780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).