(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one

C11H11NO — CID 124916328

IUPAC(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one
SMILESO=C1N[C@@H]2C=C[C@@H]3C=C[C@@H]2[C@H]1C=C3
InChIInChI=1S/C11H11NO/c13-11-9-5-2-7-1-4-8(9)10(12-11)6-3-7/h1-10H,(H,12,13)/t7-,8-,9-,10-/m1/s1
InChIKeyCNKFNLUAIMJVQJ-ZYUZMQFOSA-N
MW173.22 g/mol
LogP1.03
Rot. Bonds

About (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one

(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one (PubChem CID 124916328) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one.

Molecular Properties

Compound Name(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one
PubChem CID124916328
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one
SMILESO=C1N[C@@H]2C=C[C@@H]3C=C[C@@H]2[C@H]1C=C3
InChIInChI=1S/C11H11NO/c13-11-9-5-2-7-1-4-8(9)10(12-11)6-3-7/h1-10H,(H,12,13)/t7-,8-,9-,10-/m1/s1
InChIKeyCNKFNLUAIMJVQJ-ZYUZMQFOSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one?
The IUPAC name of (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one (CID 124916328) is (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one.
What is the SMILES notation for (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one?
The canonical SMILES for (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one is O=C1N[C@@H]2C=C[C@@H]3C=C[C@@H]2[C@H]1C=C3.
What is the InChIKey of (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one?
The InChIKey is CNKFNLUAIMJVQJ-ZYUZMQFOSA-N. The full InChI is InChI=1S/C11H11NO/c13-11-9-5-2-7-1-4-8(9)10(12-11)6-3-7/h1-10H,(H,12,13)/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one?
(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one has a molecular weight of 173.22 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one is sourced from PubChem (CID 124916328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).