2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione

C20H19NO3 — CID 17411430

IUPAC2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO3/c22-17(16-8-7-14-5-1-2-6-15(14)11-16)13-21-18(23)12-20(19(21)24)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12-13H2
InChIKeyFTBUUNHYFLMDIA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17411430) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17411430
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO3/c22-17(16-8-7-14-5-1-2-6-15(14)11-16)13-21-18(23)12-20(19(21)24)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12-13H2
InChIKeyFTBUUNHYFLMDIA-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Naphyrone
CID 11243002
Naphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 795353
TH-Pvp
CID 132989549
2-[2-(2,5-Dimethyl-phenyl)-2-oxo-ethyl]-2,3-dihydro-isoindol-1-one
CID 766181
2-[3-(Dimethylamino)propyl]-1H-benzo[f]isoindole-1,3(2H)-dione
CID 3143321
2-[2-(2,5-Dimethylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 5036147
1-[2-(4-Biphenylyl)-2-oxoethyl]-2,5-pyrrolidinedione
CID 798730
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(diethylamino)propyl)-7-methyl-
CID 205154
Naphyrone hydrochloride
CID 53326964
Cyclohexane-alpha-pbp
CID 132989547
1-[2-Oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 7807325
1-[2-(2,5-Dimethylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 2113808

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 17411430) is 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is FTBUUNHYFLMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-17(16-8-7-14-5-1-2-6-15(14)11-16)13-21-18(23)12-20(19(21)24)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12-13H2.
What are the key properties of 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 321.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17411430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).