(7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol

C15H22NO+ — CID 6924091

IUPAC(7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol
SMILESO[C@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCC2)C1
InChIInChI=1S/C15H21NO/c17-13-10-14(12-6-2-1-3-7-12)16-15(11-13)8-4-5-9-15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/p+1/t13-,14-/m0/s1
InChIKeyOMBCWYLENQIVBL-KBPBESRZSA-O
MW232.35 g/mol
LogP1.76
Rot. Bonds1

About (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol

(7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol (PubChem CID 6924091) has the molecular formula C15H22NO+ and a molecular weight of 232.35 g/mol. Its IUPAC name is (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol.

Molecular Properties

Compound Name(7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol
PubChem CID6924091
Molecular FormulaC15H22NO+
Molecular Weight232.35 g/mol
Exact Mass232.17
IUPAC Name(7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol
SMILESO[C@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCC2)C1
InChIInChI=1S/C15H21NO/c17-13-10-14(12-6-2-1-3-7-12)16-15(11-13)8-4-5-9-15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/p+1/t13-,14-/m0/s1
InChIKeyOMBCWYLENQIVBL-KBPBESRZSA-O
XLogP1.76
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol?
The IUPAC name of (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol (CID 6924091) is (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol.
What is the SMILES notation for (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol?
The canonical SMILES for (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol is O[C@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCC2)C1.
What is the InChIKey of (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol?
The InChIKey is OMBCWYLENQIVBL-KBPBESRZSA-O. The full InChI is InChI=1S/C15H21NO/c17-13-10-14(12-6-2-1-3-7-12)16-15(11-13)8-4-5-9-15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/p+1/t13-,14-/m0/s1.
What are the key properties of (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol?
(7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol has a molecular weight of 232.35 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9S)-7-phenyl-6-azoniaspiro[4.5]decan-9-ol is sourced from PubChem (CID 6924091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).