(1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene

C16H20NO+ — CID 163185801

IUPAC(1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene
SMILESO[NH+]1CC[C@]23C=CCC[C@H]2[C@H]1Cc1ccccc13
InChIInChI=1S/C16H19NO/c18-17-10-9-16-8-4-3-7-14(16)15(17)11-12-5-1-2-6-13(12)16/h1-2,4-6,8,14-15,18H,3,7,9-11H2/p+1/t14-,15+,16-/m0/s1
InChIKeyRCXNOOIFLKUNGE-XHSDSOJGSA-O
MW242.34 g/mol
LogP1.49
Rot. Bonds

About (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene

(1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene (PubChem CID 163185801) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene.

Molecular Properties

Compound Name(1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene
PubChem CID163185801
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name(1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene
SMILESO[NH+]1CC[C@]23C=CCC[C@H]2[C@H]1Cc1ccccc13
InChIInChI=1S/C16H19NO/c18-17-10-9-16-8-4-3-7-14(16)15(17)11-12-5-1-2-6-13(12)16/h1-2,4-6,8,14-15,18H,3,7,9-11H2/p+1/t14-,15+,16-/m0/s1
InChIKeyRCXNOOIFLKUNGE-XHSDSOJGSA-O
XLogP1.49
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene with MolForge

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Related Compounds

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17-Methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
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6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
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17-Methylmorphinan
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Frequently Asked Questions

What is the IUPAC name of (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene?
The IUPAC name of (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene (CID 163185801) is (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene.
What is the SMILES notation for (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene?
The canonical SMILES for (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene is O[NH+]1CC[C@]23C=CCC[C@H]2[C@H]1Cc1ccccc13.
What is the InChIKey of (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene?
The InChIKey is RCXNOOIFLKUNGE-XHSDSOJGSA-O. The full InChI is InChI=1S/C16H19NO/c18-17-10-9-16-8-4-3-7-14(16)15(17)11-12-5-1-2-6-13(12)16/h1-2,4-6,8,14-15,18H,3,7,9-11H2/p+1/t14-,15+,16-/m0/s1.
What are the key properties of (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene?
(1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene has a molecular weight of 242.34 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10R)-17-hydroxy-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene is sourced from PubChem (CID 163185801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).