(5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione

C12H17NO2 — CID 164677277

IUPAC(5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione
SMILESO=C1C[C@H]2CCCN3C(=O)CC[C@@H](C1)[C@@H]23
InChIInChI=1S/C12H17NO2/c14-10-6-8-2-1-5-13-11(15)4-3-9(7-10)12(8)13/h8-9,12H,1-7H2/t8-,9+,12-/m1/s1
InChIKeyNFYZPGRBTBSJAR-VDDIYKPWSA-N
MW207.27 g/mol
LogP1.37
Rot. Bonds

About (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione

(5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione (PubChem CID 164677277) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione.

Molecular Properties

Compound Name(5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione
PubChem CID164677277
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione
SMILESO=C1C[C@H]2CCCN3C(=O)CC[C@@H](C1)[C@@H]23
InChIInChI=1S/C12H17NO2/c14-10-6-8-2-1-5-13-11(15)4-3-9(7-10)12(8)13/h8-9,12H,1-7H2/t8-,9+,12-/m1/s1
InChIKeyNFYZPGRBTBSJAR-VDDIYKPWSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione?
The IUPAC name of (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione (CID 164677277) is (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione.
What is the SMILES notation for (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione?
The canonical SMILES for (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione is O=C1C[C@H]2CCCN3C(=O)CC[C@@H](C1)[C@@H]23.
What is the InChIKey of (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione?
The InChIKey is NFYZPGRBTBSJAR-VDDIYKPWSA-N. The full InChI is InChI=1S/C12H17NO2/c14-10-6-8-2-1-5-13-11(15)4-3-9(7-10)12(8)13/h8-9,12H,1-7H2/t8-,9+,12-/m1/s1.
What are the key properties of (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione?
(5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione has a molecular weight of 207.27 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R,13R)-1-azatricyclo[7.3.1.05,13]tridecane-2,7-dione is sourced from PubChem (CID 164677277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).