4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one

C14H11NO — CID 57102823

IUPAC4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one
SMILESO=C1C=c2ccccc2=CC2N=CC=CC12
InChIInChI=1S/C14H11NO/c16-14-9-11-5-2-1-4-10(11)8-13-12(14)6-3-7-15-13/h1-9,12-13H
InChIKeyWZKWNPOITAUFTJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds

About 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one

4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one (PubChem CID 57102823) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one.

Molecular Properties

Compound Name4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one
PubChem CID57102823
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one
SMILESO=C1C=c2ccccc2=CC2N=CC=CC12
InChIInChI=1S/C14H11NO/c16-14-9-11-5-2-1-4-10(11)8-13-12(14)6-3-7-15-13/h1-9,12-13H
InChIKeyWZKWNPOITAUFTJ-UHFFFAOYSA-N
XLogP0.46
TPSA29.43 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 ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one?
The IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one (CID 57102823) is 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one.
What is the SMILES notation for 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one?
The canonical SMILES for 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one is O=C1C=c2ccccc2=CC2N=CC=CC12.
What is the InChIKey of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one?
The InChIKey is WZKWNPOITAUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-14-9-11-5-2-1-4-10(11)8-13-12(14)6-3-7-15-13/h1-9,12-13H.
What are the key properties of 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one?
4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one has a molecular weight of 209.25 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one is sourced from PubChem (CID 57102823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).