2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide

C15H17N3O3 — CID 5210526

IUPAC2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C15H17N3O3/c1-16-12(19)9-18-13(20)15(17-14(18)21)7-6-10-4-2-3-5-11(10)8-15/h2-5H,6-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyMLVLFVFPGAZSLO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.21
Rot. Bonds2

About 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide

2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide (PubChem CID 5210526) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
PubChem CID5210526
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C15H17N3O3/c1-16-12(19)9-18-13(20)15(17-14(18)21)7-6-10-4-2-3-5-11(10)8-15/h2-5H,6-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyMLVLFVFPGAZSLO-UHFFFAOYSA-N
XLogP0.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
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[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide (CID 5210526) is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide is CNC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide?
The InChIKey is MLVLFVFPGAZSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-12(19)9-18-13(20)15(17-14(18)21)7-6-10-4-2-3-5-11(10)8-15/h2-5H,6-9H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide?
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide is sourced from PubChem (CID 5210526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).