(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one

C10H15NO — CID 163475546

IUPAC(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one
SMILESC[C@H]1[C@@]23C[C@@H](C)NC(=O)C[C@@]12C3
InChIInChI=1S/C10H15NO/c1-6-3-9-5-10(9,7(9)2)4-8(12)11-6/h6-7H,3-5H2,1-2H3,(H,11,12)/t6-,7+,9+,10-/m1/s1
InChIKeyCABPUPLIFOPODC-GOZTYBTRSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds

About (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one

(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one (PubChem CID 163475546) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one.

Molecular Properties

Compound Name(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one
PubChem CID163475546
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one
SMILESC[C@H]1[C@@]23C[C@@H](C)NC(=O)C[C@@]12C3
InChIInChI=1S/C10H15NO/c1-6-3-9-5-10(9,7(9)2)4-8(12)11-6/h6-7H,3-5H2,1-2H3,(H,11,12)/t6-,7+,9+,10-/m1/s1
InChIKeyCABPUPLIFOPODC-GOZTYBTRSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one?
The IUPAC name of (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one (CID 163475546) is (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one.
What is the SMILES notation for (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one?
The canonical SMILES for (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one is C[C@H]1[C@@]23C[C@@H](C)NC(=O)C[C@@]12C3.
What is the InChIKey of (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one?
The InChIKey is CABPUPLIFOPODC-GOZTYBTRSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-3-9-5-10(9,7(9)2)4-8(12)11-6/h6-7H,3-5H2,1-2H3,(H,11,12)/t6-,7+,9+,10-/m1/s1.
What are the key properties of (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one?
(1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R,8S)-5,8-dimethyl-4-azatricyclo[5.1.1.01,7]nonan-3-one is sourced from PubChem (CID 163475546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).