(1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide

C9H16INO — CID 10826645

IUPAC(1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide
SMILESC[N+]12C[C@H]3CC1C[C@@H](C2)C3O.[I-]
InChIInChI=1S/C9H16NO.HI/c1-10-4-6-2-8(10)3-7(5-10)9(6)11;/h6-9,11H,2-5H2,1H3;1H/q+1;/p-1/t6-,7+,8?,9?,10?;
InChIKeyGLMQBULUTPXJRQ-XVKRWQBASA-M
MW281.14 g/mol
LogP-2.78
Rot. Bonds

About (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide

(1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide (PubChem CID 10826645) has the molecular formula C9H16INO and a molecular weight of 281.14 g/mol. Its IUPAC name is (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide.

Molecular Properties

Compound Name(1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide
PubChem CID10826645
Molecular FormulaC9H16INO
Molecular Weight281.14 g/mol
Exact Mass281.03
IUPAC Name(1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide
SMILESC[N+]12C[C@H]3CC1C[C@@H](C2)C3O.[I-]
InChIInChI=1S/C9H16NO.HI/c1-10-4-6-2-8(10)3-7(5-10)9(6)11;/h6-9,11H,2-5H2,1H3;1H/q+1;/p-1/t6-,7+,8?,9?,10?;
InChIKeyGLMQBULUTPXJRQ-XVKRWQBASA-M
XLogP-2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 5-2.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyrrolidin-1-ium diiodide
CID 154810955
(3S,5R)-1-oxido-1-azoniatricyclo[3.3.1.13,7]decan-4-ol
CID 102386172
(5S,7R)-1-methyl-3-aza-1-azoniatricyclo[3.3.1.13,7]decan-6-ol
CID 10613832
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
1-methyl-1-azoniatricyclo[6.2.2.02,7]dodecan-5-ol iodide
CID 163331066
(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
3-tert-butylcyclobutane-1,2-diol
CID 12791413
(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide
CID 109374157

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide?
The IUPAC name of (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide (CID 10826645) is (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide.
What is the SMILES notation for (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide?
The canonical SMILES for (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide is C[N+]12C[C@H]3CC1C[C@@H](C2)C3O.[I-].
What is the InChIKey of (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide?
The InChIKey is GLMQBULUTPXJRQ-XVKRWQBASA-M. The full InChI is InChI=1S/C9H16NO.HI/c1-10-4-6-2-8(10)3-7(5-10)9(6)11;/h6-9,11H,2-5H2,1H3;1H/q+1;/p-1/t6-,7+,8?,9?,10?;.
What are the key properties of (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide?
(1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide has a molecular weight of 281.14 g/mol, XLogP of -2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methyl-3-azoniatricyclo[3.3.1.03,7]nonan-9-ol iodide is sourced from PubChem (CID 10826645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).