(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione

C17H17N3O3 — CID 139232133

IUPAC(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCCC(=O)n1cc(/C=C2\C(=O)N(C)C(=O)N2C)c2ccccc21
InChIInChI=1S/C17H17N3O3/c1-4-15(21)20-10-11(12-7-5-6-8-13(12)20)9-14-16(22)19(3)17(23)18(14)2/h5-10H,4H2,1-3H3/b14-9+
InChIKeyZTWPZKVXBZJBAB-NTEUORMPSA-N
MW311.34 g/mol
LogP2.56
Rot. Bonds2

About (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione

(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 139232133) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID139232133
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCCC(=O)n1cc(/C=C2\C(=O)N(C)C(=O)N2C)c2ccccc21
InChIInChI=1S/C17H17N3O3/c1-4-15(21)20-10-11(12-7-5-6-8-13(12)20)9-14-16(22)19(3)17(23)18(14)2/h5-10H,4H2,1-3H3/b14-9+
InChIKeyZTWPZKVXBZJBAB-NTEUORMPSA-N
XLogP2.56
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione 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

(5Z)-5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 44714477
(5E)-5-[(6-bromo-1-propanoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
CID 23426567
(5E)-5-[(1-benzoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
CID 10021303
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
(2R)-2-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]propanoic acid
CID 7341644
(5Z)-3-ethyl-1-methyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714409
1-propanoylindole-3-carbohydrazide
CID 91690174
(2Z)-2-[(1-acetylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 71580729
(5Z)-5-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 44714430
1-(3-methylbutanoyl)indole-3-carbaldehyde
CID 82115500
5-[[1-[(2-bromophenyl)methyl]indol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73212766
2-[3-[(Z)-(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 44714175

Frequently Asked Questions

What is the IUPAC name of (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione (CID 139232133) is (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione is CCC(=O)n1cc(/C=C2\C(=O)N(C)C(=O)N2C)c2ccccc21.
What is the InChIKey of (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is ZTWPZKVXBZJBAB-NTEUORMPSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-15(21)20-10-11(12-7-5-6-8-13(12)20)9-14-16(22)19(3)17(23)18(14)2/h5-10H,4H2,1-3H3/b14-9+.
What are the key properties of (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione?
(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 139232133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).