5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

C14H15N3O3 — CID 42910412

IUPAC5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCc3ccccc32)N1
InChIInChI=1S/C14H15N3O3/c18-12(6-5-10-13(19)16-14(20)15-10)17-8-7-9-3-1-2-4-11(9)17/h1-4,10H,5-8H2,(H2,15,16,19,20)
InChIKeyFVLCUXBLHOCCEZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.56
Rot. Bonds3

About 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 42910412) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID42910412
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCc3ccccc32)N1
InChIInChI=1S/C14H15N3O3/c18-12(6-5-10-13(19)16-14(20)15-10)17-8-7-9-3-1-2-4-11(9)17/h1-4,10H,5-8H2,(H2,15,16,19,20)
InChIKeyFVLCUXBLHOCCEZ-UHFFFAOYSA-N
XLogP0.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
4-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrazolidine-3,5-dione
CID 110703723
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 86867538
(5S)-5-[2-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 167765151
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110020014
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 42910412) is 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCc3ccccc32)N1.
What is the InChIKey of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is FVLCUXBLHOCCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12(6-5-10-13(19)16-14(20)15-10)17-8-7-9-3-1-2-4-11(9)17/h1-4,10H,5-8H2,(H2,15,16,19,20).
What are the key properties of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42910412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).