2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide

C15H17N3O3 — CID 17414522

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C15H17N3O3/c1-17(2)12(19)9-18-13(20)15(16-14(18)21)8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,16,21)
InChIKeyGTDMTBUEHUATEJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.47
Rot. Bonds2

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide (PubChem CID 17414522) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide
PubChem CID17414522
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C15H17N3O3/c1-17(2)12(19)9-18-13(20)15(16-14(18)21)8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,16,21)
InChIKeyGTDMTBUEHUATEJ-UHFFFAOYSA-N
XLogP0.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide (CID 17414522) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
The InChIKey is GTDMTBUEHUATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(2)12(19)9-18-13(20)15(16-14(18)21)8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,16,21).
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 17414522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).