1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione

C11H13N3O2 — CID 11535880

IUPAC1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione
SMILESCn1ccc2c1CCCC21NC(=O)NC1=O
InChIInChI=1S/C11H13N3O2/c1-14-6-4-7-8(14)3-2-5-11(7)9(15)12-10(16)13-11/h4,6H,2-3,5H2,1H3,(H2,12,13,15,16)
InChIKeyICJNMTOEHPCHBQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.40
Rot. Bonds

About 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione

1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione (PubChem CID 11535880) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione
PubChem CID11535880
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione
SMILESCn1ccc2c1CCCC21NC(=O)NC1=O
InChIInChI=1S/C11H13N3O2/c1-14-6-4-7-8(14)3-2-5-11(7)9(15)12-10(16)13-11/h4,6H,2-3,5H2,1H3,(H2,12,13,15,16)
InChIKeyICJNMTOEHPCHBQ-UHFFFAOYSA-N
XLogP0.40
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.40
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 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione (CID 11535880) is 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione is Cn1ccc2c1CCCC21NC(=O)NC1=O.
What is the InChIKey of 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is ICJNMTOEHPCHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14-6-4-7-8(14)3-2-5-11(7)9(15)12-10(16)13-11/h4,6H,2-3,5H2,1H3,(H2,12,13,15,16).
What are the key properties of 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione?
1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 219.24 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 11535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).