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

C15H17N3O3 — CID 4621176

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C15H17N3O3/c1-9(12(16)19)18-13(20)15(17-14(18)21)8-4-6-10-5-2-3-7-11(10)15/h2-3,5,7,9H,4,6,8H2,1H3,(H2,16,19)(H,17,21)
InChIKeyZHTVPRDGXGHHTR-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.64
Rot. Bonds2

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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide (PubChem CID 4621176) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
PubChem CID4621176
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C15H17N3O3/c1-9(12(16)19)18-13(20)15(17-14(18)21)8-4-6-10-5-2-3-7-11(10)15/h2-3,5,7,9H,4,6,8H2,1H3,(H2,16,19)(H,17,21)
InChIKeyZHTVPRDGXGHHTR-UHFFFAOYSA-N
XLogP0.64
TPSA92.50 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 ≤ 50.64
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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide (CID 4621176) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide is CC(C(N)=O)N1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
The InChIKey is ZHTVPRDGXGHHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(12(16)19)18-13(20)15(17-14(18)21)8-4-6-10-5-2-3-7-11(10)15/h2-3,5,7,9H,4,6,8H2,1H3,(H2,16,19)(H,17,21).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 0.64, 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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide is sourced from PubChem (CID 4621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).