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

C14H13N3O3 — CID 24820788

IUPAC1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C14H13N3O3/c18-11-14(16-13(20)15-11)9-3-1-2-4-10(9)17(12(14)19)7-8-5-6-8/h1-4,8H,5-7H2,(H2,15,16,18,20)
InChIKeyWEZZYWMZHLAXNW-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.48
Rot. Bonds2

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

1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24820788) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24820788
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C14H13N3O3/c18-11-14(16-13(20)15-11)9-3-1-2-4-10(9)17(12(14)19)7-8-5-6-8/h1-4,8H,5-7H2,(H2,15,16,18,20)
InChIKeyWEZZYWMZHLAXNW-UHFFFAOYSA-N
XLogP0.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.48
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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Related Compounds

1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820792
1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820816
2-(2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl)acetamide
CID 143523228
1'-(3-methylbutyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24752578
1-(cyclopropylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 121229489
(5S)-1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 54589851
1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione
CID 79906794
(1R,2S)-2-(4-chlorophenyl)-1'-(oxan-4-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one;(1S,2R)-2-(4-chlorophenyl)-1'-(oxan-4-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 161225644
1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79907372
(5R)-1'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 90752194
5'-methyl-1'-(2-phenylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820885
1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155909321

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24820788) is 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(N1)C(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is WEZZYWMZHLAXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-11-14(16-13(20)15-11)9-3-1-2-4-10(9)17(12(14)19)7-8-5-6-8/h1-4,8H,5-7H2,(H2,15,16,18,20).
What are the key properties of 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 271.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24820788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).