(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one

C10H15NO2 — CID 16726729

IUPAC(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one
SMILESO=C1CN2[C@@H]3CC(O)C[C@H]2CC1C3
InChIInChI=1S/C10H15NO2/c12-9-3-7-1-6-2-8(4-9)11(7)5-10(6)13/h6-9,12H,1-5H2/t6?,7-,8+,9?
InChIKeyNEDMCWSHHDYQAJ-VGKQMMLZSA-N
MW181.23 g/mol
LogP0.17
Rot. Bonds

About (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one

(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one (PubChem CID 16726729) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one.

Molecular Properties

Compound Name(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one
PubChem CID16726729
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one
SMILESO=C1CN2[C@@H]3CC(O)C[C@H]2CC1C3
InChIInChI=1S/C10H15NO2/c12-9-3-7-1-6-2-8(4-9)11(7)5-10(6)13/h6-9,12H,1-5H2/t6?,7-,8+,9?
InChIKeyNEDMCWSHHDYQAJ-VGKQMMLZSA-N
XLogP0.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one?
The IUPAC name of (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one (CID 16726729) is (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one.
What is the SMILES notation for (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one?
The canonical SMILES for (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one is O=C1CN2[C@@H]3CC(O)C[C@H]2CC1C3.
What is the InChIKey of (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one?
The InChIKey is NEDMCWSHHDYQAJ-VGKQMMLZSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-3-7-1-6-2-8(4-9)11(7)5-10(6)13/h6-9,12H,1-5H2/t6?,7-,8+,9?.
What are the key properties of (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one?
(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one has a molecular weight of 181.23 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one is sourced from PubChem (CID 16726729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).