1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione

C12H8N2O3 — CID 3028843

IUPAC1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
SMILESC#CCN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H8N2O3/c1-2-8-13-10(15)11(16)14(12(13)17)9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKeyQTQWGOYMQHIRKG-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.62
Rot. Bonds2

About 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione

1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione (PubChem CID 3028843) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
PubChem CID3028843
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
SMILESC#CCN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H8N2O3/c1-2-8-13-10(15)11(16)14(12(13)17)9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKeyQTQWGOYMQHIRKG-UHFFFAOYSA-N
XLogP0.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione?
The IUPAC name of 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione (CID 3028843) is 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione is C#CCN1C(=O)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione?
The InChIKey is QTQWGOYMQHIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-2-8-13-10(15)11(16)14(12(13)17)9-6-4-3-5-7-9/h1,3-7H,8H2.
What are the key properties of 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione?
1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione has a molecular weight of 228.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione is sourced from PubChem (CID 3028843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).