5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

C14H12ClN3O3 — CID 24752439

IUPAC5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESC=CCN1C(=O)C2(NC(=O)NC2=O)c2cc(Cl)cc(C)c21
InChIInChI=1S/C14H12ClN3O3/c1-3-4-18-10-7(2)5-8(15)6-9(10)14(12(18)20)11(19)16-13(21)17-14/h3,5-6H,1,4H2,2H3,(H2,16,17,19,21)
InChIKeyXQYGDQKXSUDYOB-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.22
Rot. Bonds2

About 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24752439) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24752439
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESC=CCN1C(=O)C2(NC(=O)NC2=O)c2cc(Cl)cc(C)c21
InChIInChI=1S/C14H12ClN3O3/c1-3-4-18-10-7(2)5-8(15)6-9(10)14(12(18)20)11(19)16-13(21)17-14/h3,5-6H,1,4H2,2H3,(H2,16,17,19,21)
InChIKeyXQYGDQKXSUDYOB-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24752295
2-(5'-chloro-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl)acetic acid
CID 67497807
1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24750738
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004
(5S)-1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 54589851
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24750578
5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione
CID 11466901
5'-methyl-1'-(2-phenylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820885
4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9150164
5,6-dimethyl-2-prop-2-enylisoindole-1,3-dione
CID 102041761
5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 3034733

Frequently Asked Questions

What is the IUPAC name of 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24752439) is 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is C=CCN1C(=O)C2(NC(=O)NC2=O)c2cc(Cl)cc(C)c21.
What is the InChIKey of 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is XQYGDQKXSUDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-3-4-18-10-7(2)5-8(15)6-9(10)14(12(18)20)11(19)16-13(21)17-14/h3,5-6H,1,4H2,2H3,(H2,16,17,19,21).
What are the key properties of 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 305.72 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-7'-methyl-1'-prop-2-enylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24752439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).