1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione

C14H12FN3O3 — CID 24820816

IUPAC1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CC1CC1)c1ccc(F)cc12
InChIInChI=1S/C14H12FN3O3/c15-8-3-4-10-9(5-8)14(11(19)16-13(21)17-14)12(20)18(10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,16,17,19,21)
InChIKeyGNXXZPFZPIASTF-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.62
Rot. Bonds2

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

1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24820816) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24820816
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CC1CC1)c1ccc(F)cc12
InChIInChI=1S/C14H12FN3O3/c15-8-3-4-10-9(5-8)14(11(19)16-13(21)17-14)12(20)18(10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,16,17,19,21)
InChIKeyGNXXZPFZPIASTF-UHFFFAOYSA-N
XLogP0.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.62
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'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24820816) is 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(N1)C(=O)N(CC1CC1)c1ccc(F)cc12.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is GNXXZPFZPIASTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-8-3-4-10-9(5-8)14(11(19)16-13(21)17-14)12(20)18(10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,16,17,19,21).
What are the key properties of 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 289.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24820816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).