1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

C15H17N3O3 — CID 24752578

IUPAC1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCC(C)CCN1C(=O)C2(NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-9(2)7-8-18-11-6-4-3-5-10(11)15(13(18)20)12(19)16-14(21)17-15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,21)
InChIKeyWXVPHLJDXPPKPI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.11
Rot. Bonds3

About 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24752578) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24752578
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCC(C)CCN1C(=O)C2(NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-9(2)7-8-18-11-6-4-3-5-10(11)15(13(18)20)12(19)16-14(21)17-15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,21)
InChIKeyWXVPHLJDXPPKPI-UHFFFAOYSA-N
XLogP1.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24752578) is 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is CC(C)CCN1C(=O)C2(NC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is WXVPHLJDXPPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)7-8-18-11-6-4-3-5-10(11)15(13(18)20)12(19)16-14(21)17-15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,21).
What are the key properties of 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 287.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24752578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).