1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one

C11H13NO — CID 89270771

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one
SMILESO=C1CCC2=CCCC3=C2N1CC3
InChIInChI=1S/C11H13NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h2H,1,3-7H2
InChIKeyCESGFTLQLXLKJM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one

1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one (PubChem CID 89270771) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one
PubChem CID89270771
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one
SMILESO=C1CCC2=CCCC3=C2N1CC3
InChIInChI=1S/C11H13NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h2H,1,3-7H2
InChIKeyCESGFTLQLXLKJM-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one (CID 89270771) is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one is O=C1CCC2=CCCC3=C2N1CC3.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one?
The InChIKey is CESGFTLQLXLKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h2H,1,3-7H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one?
1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one has a molecular weight of 175.23 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),7-dien-11-one is sourced from PubChem (CID 89270771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).