(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione

C13H11N3O2 — CID 90476253

IUPAC(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C\C2C=Nc3ccccc32)C1=O
InChIInChI=1S/C13H11N3O2/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-8H,1H3,(H,15,18)/b11-6-
InChIKeyVSJYYRRYAYNJJJ-WDZFZDKYSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds1

About (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione

(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione (PubChem CID 90476253) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione
PubChem CID90476253
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C\C2C=Nc3ccccc32)C1=O
InChIInChI=1S/C13H11N3O2/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-8H,1H3,(H,15,18)/b11-6-
InChIKeyVSJYYRRYAYNJJJ-WDZFZDKYSA-N
XLogP1.55
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione (CID 90476253) is (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=C\C2C=Nc3ccccc32)C1=O.
What is the InChIKey of (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione?
The InChIKey is VSJYYRRYAYNJJJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-8H,1H3,(H,15,18)/b11-6-.
What are the key properties of (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione?
(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 90476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).