5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione

C11H9N3O2 — CID 70313078

IUPAC5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
SMILESCc1ccc(C#CC2NC(=O)NC2=O)cn1
InChIInChI=1S/C11H9N3O2/c1-7-2-3-8(6-12-7)4-5-9-10(15)14-11(16)13-9/h2-3,6,9H,1H3,(H2,13,14,15,16)
InChIKeyVSWFWTSRLFFANS-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.05
Rot. Bonds

About 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione

5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 70313078) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
PubChem CID70313078
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
SMILESCc1ccc(C#CC2NC(=O)NC2=O)cn1
InChIInChI=1S/C11H9N3O2/c1-7-2-3-8(6-12-7)4-5-9-10(15)14-11(16)13-9/h2-3,6,9H,1H3,(H2,13,14,15,16)
InChIKeyVSWFWTSRLFFANS-UHFFFAOYSA-N
XLogP-0.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (CID 70313078) is 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is Cc1ccc(C#CC2NC(=O)NC2=O)cn1.
What is the InChIKey of 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is VSWFWTSRLFFANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7-2-3-8(6-12-7)4-5-9-10(15)14-11(16)13-9/h2-3,6,9H,1H3,(H2,13,14,15,16).
What are the key properties of 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?
5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 215.21 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70313078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).