N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide

C15H15N3O3 — CID 142942900

IUPACN-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide
SMILESC=C1NC(=O)N(C)C12Cc1ccc(NC(=O)C=O)cc1C2
InChIInChI=1S/C15H15N3O3/c1-9-15(18(2)14(21)16-9)6-10-3-4-12(5-11(10)7-15)17-13(20)8-19/h3-5,8H,1,6-7H2,2H3,(H,16,21)(H,17,20)
InChIKeySBTBSELGAOGAMS-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.83
Rot. Bonds2

About N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide

N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide (PubChem CID 142942900) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide
PubChem CID142942900
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide
SMILESC=C1NC(=O)N(C)C12Cc1ccc(NC(=O)C=O)cc1C2
InChIInChI=1S/C15H15N3O3/c1-9-15(18(2)14(21)16-9)6-10-3-4-12(5-11(10)7-15)17-13(20)8-19/h3-5,8H,1,6-7H2,2H3,(H,16,21)(H,17,20)
InChIKeySBTBSELGAOGAMS-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide?
The IUPAC name of N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide (CID 142942900) is N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide?
The canonical SMILES for N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide is C=C1NC(=O)N(C)C12Cc1ccc(NC(=O)C=O)cc1C2.
What is the InChIKey of N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide?
The InChIKey is SBTBSELGAOGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-15(18(2)14(21)16-9)6-10-3-4-12(5-11(10)7-15)17-13(20)8-19/h3-5,8H,1,6-7H2,2H3,(H,16,21)(H,17,20).
What are the key properties of N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide?
N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide has a molecular weight of 285.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide is sourced from PubChem (CID 142942900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).