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

C16H18N2O3 — CID 97347932

IUPAC2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C16H18N2O3/c1-2-17-13(19)10-18-14(20)9-16(15(18)21)8-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)/t16-/m0/s1
InChIKeyYJJDOOJBHOOLFS-INIZCTEOSA-N
MW286.33 g/mol
LogP0.77
Rot. Bonds3

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide (PubChem CID 97347932) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
PubChem CID97347932
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C16H18N2O3/c1-2-17-13(19)10-18-14(20)9-16(15(18)21)8-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)/t16-/m0/s1
InChIKeyYJJDOOJBHOOLFS-INIZCTEOSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.77
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-methylacetamide
CID 99820044
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
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 167892355
(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 991904
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373
1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 75475833
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide
CID 4786865
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2706117
N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276082
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588683

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide?
The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide (CID 97347932) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide?
The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is YJJDOOJBHOOLFS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-17-13(19)10-18-14(20)9-16(15(18)21)8-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)/t16-/m0/s1.
What are the key properties of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide?
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide has a molecular weight of 286.33 g/mol, XLogP of 0.77, 3 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-ethylacetamide is sourced from PubChem (CID 97347932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).