8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione

C17H21NO3 — CID 107863747

IUPAC8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H21NO3/c19-12-14(13-6-2-1-3-7-13)18-15(20)10-17(11-16(18)21)8-4-5-9-17/h1-3,6-7,14,19H,4-5,8-12H2/t14-/m0/s1
InChIKeyLGNJJXLHVGVDMS-AWEZNQCLSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds3

About 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 107863747) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID107863747
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H21NO3/c19-12-14(13-6-2-1-3-7-13)18-15(20)10-17(11-16(18)21)8-4-5-9-17/h1-3,6-7,14,19H,4-5,8-12H2/t14-/m0/s1
InChIKeyLGNJJXLHVGVDMS-AWEZNQCLSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 107863747) is 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LGNJJXLHVGVDMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO3/c19-12-14(13-6-2-1-3-7-13)18-15(20)10-17(11-16(18)21)8-4-5-9-17/h1-3,6-7,14,19H,4-5,8-12H2/t14-/m0/s1.
What are the key properties of 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 287.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 107863747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).