(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione

C11H15NO3 — CID 101017522

IUPAC(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
SMILESO=C1CC[C@@]23CCC(=O)N2C[C@H](O)[C@@H]1C3
InChIInChI=1S/C11H15NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7,9,14H,1-6H2/t7-,9+,11+/m1/s1
InChIKeyHOZZNJHNXPOLFQ-HDBBIHSSSA-N
MW209.24 g/mol
LogP0.09
Rot. Bonds

About (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione

(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione (PubChem CID 101017522) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione.

Molecular Properties

Compound Name(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
PubChem CID101017522
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
SMILESO=C1CC[C@@]23CCC(=O)N2C[C@H](O)[C@@H]1C3
InChIInChI=1S/C11H15NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7,9,14H,1-6H2/t7-,9+,11+/m1/s1
InChIKeyHOZZNJHNXPOLFQ-HDBBIHSSSA-N
XLogP0.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
The IUPAC name of (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione (CID 101017522) is (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione.
What is the SMILES notation for (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
The canonical SMILES for (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione is O=C1CC[C@@]23CCC(=O)N2C[C@H](O)[C@@H]1C3.
What is the InChIKey of (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
The InChIKey is HOZZNJHNXPOLFQ-HDBBIHSSSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7,9,14H,1-6H2/t7-,9+,11+/m1/s1.
What are the key properties of (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione has a molecular weight of 209.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione is sourced from PubChem (CID 101017522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).