(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one

C15H19NO2 — CID 102522511

IUPAC(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
SMILESC[C@@]1(O)CCC[C@@]12CCN(c1ccccc1)C2=O
InChIInChI=1S/C15H19NO2/c1-14(18)8-5-9-15(14)10-11-16(13(15)17)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3/t14-,15+/m1/s1
InChIKeyLGZSLYWFCCHWFM-CABCVRRESA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds1

About (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one

(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one (PubChem CID 102522511) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
PubChem CID102522511
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
SMILESC[C@@]1(O)CCC[C@@]12CCN(c1ccccc1)C2=O
InChIInChI=1S/C15H19NO2/c1-14(18)8-5-9-15(14)10-11-16(13(15)17)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3/t14-,15+/m1/s1
InChIKeyLGZSLYWFCCHWFM-CABCVRRESA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
CID 102522516
3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 118570550
8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one
CID 123999552
3,3,4-trimethyl-1-phenylpiperazin-2-one
CID 146646234
1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one
CID 10334584
ethyl (3S)-3-fluoro-2-oxo-1-phenylpyrrolidine-3-carboxylate
CID 86700962
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514
2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
CID 131686322
8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 166945814
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
(3S)-3-hydroxy-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960811

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one (CID 102522511) is (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one is C[C@@]1(O)CCC[C@@]12CCN(c1ccccc1)C2=O.
What is the InChIKey of (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one?
The InChIKey is LGZSLYWFCCHWFM-CABCVRRESA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(18)8-5-9-15(14)10-11-16(13(15)17)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3/t14-,15+/m1/s1.
What are the key properties of (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one?
(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 102522511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).