3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione

C12H11N3O2 — CID 4275919

IUPAC3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1N=C1CCc2ccccc21
InChIInChI=1S/C12H11N3O2/c16-11-7-13-12(17)15(11)14-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2,(H,13,17)
InChIKeyFCWJQDMNRYDILJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.89
Rot. Bonds1

About 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione

3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione (PubChem CID 4275919) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione
PubChem CID4275919
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1N=C1CCc2ccccc21
InChIInChI=1S/C12H11N3O2/c16-11-7-13-12(17)15(11)14-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2,(H,13,17)
InChIKeyFCWJQDMNRYDILJ-UHFFFAOYSA-N
XLogP0.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione (CID 4275919) is 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione is O=C1CNC(=O)N1N=C1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione?
The InChIKey is FCWJQDMNRYDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-7-13-12(17)15(11)14-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2,(H,13,17).
What are the key properties of 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione?
3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione has a molecular weight of 229.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione is sourced from PubChem (CID 4275919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).