(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol

C9H15NO — CID 130991403

IUPAC(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
SMILESCN1[C@@H]2CC(O)C[C@H]1[C@@H]1C[C@@H]12
InChIInChI=1S/C9H15NO/c1-10-8-2-5(11)3-9(10)7-4-6(7)8/h5-9,11H,2-4H2,1H3/t5?,6-,7+,8+,9-
InChIKeyYYPPBNNLZDCVKO-RQOWMOBWSA-N
MW153.23 g/mol
LogP0.46
Rot. Bonds

About (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol

(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol (PubChem CID 130991403) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol.

Molecular Properties

Compound Name(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
PubChem CID130991403
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
SMILESCN1[C@@H]2CC(O)C[C@H]1[C@@H]1C[C@@H]12
InChIInChI=1S/C9H15NO/c1-10-8-2-5(11)3-9(10)7-4-6(7)8/h5-9,11H,2-4H2,1H3/t5?,6-,7+,8+,9-
InChIKeyYYPPBNNLZDCVKO-RQOWMOBWSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol?
The IUPAC name of (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol (CID 130991403) is (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol.
What is the SMILES notation for (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol?
The canonical SMILES for (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol is CN1[C@@H]2CC(O)C[C@H]1[C@@H]1C[C@@H]12.
What is the InChIKey of (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol?
The InChIKey is YYPPBNNLZDCVKO-RQOWMOBWSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-8-2-5(11)3-9(10)7-4-6(7)8/h5-9,11H,2-4H2,1H3/t5?,6-,7+,8+,9-.
What are the key properties of (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol?
(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol has a molecular weight of 153.23 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol is sourced from PubChem (CID 130991403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).