11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one

C13H11NO — CID 54190225

IUPAC11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one
SMILESO=C1CC2=NCC3CC23c2ccccc21
InChIInChI=1S/C13H11NO/c15-11-5-12-13(6-8(13)7-14-12)10-4-2-1-3-9(10)11/h1-4,8H,5-7H2
InChIKeyPHZIWZBHZJWENT-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.99
Rot. Bonds

About 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one

11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one (PubChem CID 54190225) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one.

Molecular Properties

Compound Name11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one
PubChem CID54190225
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one
SMILESO=C1CC2=NCC3CC23c2ccccc21
InChIInChI=1S/C13H11NO/c15-11-5-12-13(6-8(13)7-14-12)10-4-2-1-3-9(10)11/h1-4,8H,5-7H2
InChIKeyPHZIWZBHZJWENT-UHFFFAOYSA-N
XLogP1.99
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one?
The IUPAC name of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one (CID 54190225) is 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one.
What is the SMILES notation for 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one?
The canonical SMILES for 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one is O=C1CC2=NCC3CC23c2ccccc21.
What is the InChIKey of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one?
The InChIKey is PHZIWZBHZJWENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-11-5-12-13(6-8(13)7-14-12)10-4-2-1-3-9(10)11/h1-4,8H,5-7H2.
What are the key properties of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one?
11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one has a molecular weight of 197.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,10-tetraen-8-one is sourced from PubChem (CID 54190225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).