2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide

C15H16N2O3 — CID 99820044

IUPAC2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C15H16N2O3/c1-16-12(18)9-17-13(19)8-15(14(17)20)7-6-10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H,16,18)/t15-/m0/s1
InChIKeyBCTOKVDHHSLUDU-HNNXBMFYSA-N
MW272.30 g/mol
LogP0.38
Rot. Bonds2

About 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide (PubChem CID 99820044) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide
PubChem CID99820044
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C15H16N2O3/c1-16-12(18)9-17-13(19)8-15(14(17)20)7-6-10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H,16,18)/t15-/m0/s1
InChIKeyBCTOKVDHHSLUDU-HNNXBMFYSA-N
XLogP0.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
CID 97347932
N-cyclopentyl-N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)acetamide
CID 127795670
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793
(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 991904
1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 167892355
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide
CID 2633587
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 4500586
1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 75475833
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 95320994
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2706117

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide (CID 99820044) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide is CNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O.
What is the InChIKey of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide?
The InChIKey is BCTOKVDHHSLUDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-12(18)9-17-13(19)8-15(14(17)20)7-6-10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H,16,18)/t15-/m0/s1.
What are the key properties of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide?
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide has a molecular weight of 272.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide is sourced from PubChem (CID 99820044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).