(5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione

C10H7N3O3 — CID 70313563

IUPAC(5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](C#Cc2cccc(=O)[nH]2)N1
InChIInChI=1S/C10H7N3O3/c14-8-3-1-2-6(11-8)4-5-7-9(15)13-10(16)12-7/h1-3,7H,(H,11,14)(H2,12,13,15,16)/t7-/m0/s1
InChIKeyYGMXUGVGFFVJBS-ZETCQYMHSA-N
MW217.18 g/mol
LogP-1.07
Rot. Bonds

About (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione

(5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 70313563) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione
PubChem CID70313563
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name(5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](C#Cc2cccc(=O)[nH]2)N1
InChIInChI=1S/C10H7N3O3/c14-8-3-1-2-6(11-8)4-5-7-9(15)13-10(16)12-7/h1-3,7H,(H,11,14)(H2,12,13,15,16)/t7-/m0/s1
InChIKeyYGMXUGVGFFVJBS-ZETCQYMHSA-N
XLogP-1.07
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
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 (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione (CID 70313563) is (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](C#Cc2cccc(=O)[nH]2)N1.
What is the InChIKey of (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is YGMXUGVGFFVJBS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-8-3-1-2-6(11-8)4-5-7-9(15)13-10(16)12-7/h1-3,7H,(H,11,14)(H2,12,13,15,16)/t7-/m0/s1.
What are the key properties of (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione?
(5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 217.18 g/mol, XLogP of -1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(6-oxo-1H-pyridin-2-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70313563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).