11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one

C12H11NO — CID 134973656

IUPAC11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one
SMILESO=C1CC23C=CC=CC2(C=CC=C3)N1
InChIInChI=1S/C12H11NO/c14-10-9-11-5-1-3-7-12(11,13-10)8-4-2-6-11/h1-8H,9H2,(H,13,14)
InChIKeyORQYFBQNWOXGAD-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.48
Rot. Bonds

About 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one

11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one (PubChem CID 134973656) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one.

Molecular Properties

Compound Name11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one
PubChem CID134973656
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one
SMILESO=C1CC23C=CC=CC2(C=CC=C3)N1
InChIInChI=1S/C12H11NO/c14-10-9-11-5-1-3-7-12(11,13-10)8-4-2-6-11/h1-8H,9H2,(H,13,14)
InChIKeyORQYFBQNWOXGAD-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one?
The IUPAC name of 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one (CID 134973656) is 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one.
What is the SMILES notation for 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one?
The canonical SMILES for 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one is O=C1CC23C=CC=CC2(C=CC=C3)N1.
What is the InChIKey of 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one?
The InChIKey is ORQYFBQNWOXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-10-9-11-5-1-3-7-12(11,13-10)8-4-2-6-11/h1-8H,9H2,(H,13,14).
What are the key properties of 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one?
11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one has a molecular weight of 185.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraen-12-one is sourced from PubChem (CID 134973656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).