(9R)-9-anilinooxyspiro[4.5]decan-8-one

C16H21NO2 — CID 134860391

IUPAC(9R)-9-anilinooxyspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCCC2)C[C@H]1ONc1ccccc1
InChIInChI=1S/C16H21NO2/c18-14-8-11-16(9-4-5-10-16)12-15(14)19-17-13-6-2-1-3-7-13/h1-3,6-7,15,17H,4-5,8-12H2/t15-/m1/s1
InChIKeyRETPFHOGDDPNNM-OAHLLOKOSA-N
MW259.35 g/mol
LogP3.71
Rot. Bonds3

About (9R)-9-anilinooxyspiro[4.5]decan-8-one

(9R)-9-anilinooxyspiro[4.5]decan-8-one (PubChem CID 134860391) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (9R)-9-anilinooxyspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(9R)-9-anilinooxyspiro[4.5]decan-8-one
PubChem CID134860391
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(9R)-9-anilinooxyspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCCC2)C[C@H]1ONc1ccccc1
InChIInChI=1S/C16H21NO2/c18-14-8-11-16(9-4-5-10-16)12-15(14)19-17-13-6-2-1-3-7-13/h1-3,6-7,15,17H,4-5,8-12H2/t15-/m1/s1
InChIKeyRETPFHOGDDPNNM-OAHLLOKOSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-anilinooxyspiro[4.5]decan-8-one?
The IUPAC name of (9R)-9-anilinooxyspiro[4.5]decan-8-one (CID 134860391) is (9R)-9-anilinooxyspiro[4.5]decan-8-one.
What is the SMILES notation for (9R)-9-anilinooxyspiro[4.5]decan-8-one?
The canonical SMILES for (9R)-9-anilinooxyspiro[4.5]decan-8-one is O=C1CCC2(CCCC2)C[C@H]1ONc1ccccc1.
What is the InChIKey of (9R)-9-anilinooxyspiro[4.5]decan-8-one?
The InChIKey is RETPFHOGDDPNNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO2/c18-14-8-11-16(9-4-5-10-16)12-15(14)19-17-13-6-2-1-3-7-13/h1-3,6-7,15,17H,4-5,8-12H2/t15-/m1/s1.
What are the key properties of (9R)-9-anilinooxyspiro[4.5]decan-8-one?
(9R)-9-anilinooxyspiro[4.5]decan-8-one has a molecular weight of 259.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-anilinooxyspiro[4.5]decan-8-one is sourced from PubChem (CID 134860391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).