(5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione

C9H7N3O3 — CID 122186474

IUPAC(5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(=O)[nH]c2)N1
InChIInChI=1S/C9H7N3O3/c13-7-2-1-5(4-10-7)3-6-8(14)12-9(15)11-6/h1-4H,(H,10,13)(H2,11,12,14,15)/b6-3+
InChIKeyKCGRXDLDBDVSCP-ZZXKWVIFSA-N
MW205.17 g/mol
LogP-0.44
Rot. Bonds1

About (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 122186474) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID122186474
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name(5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(=O)[nH]c2)N1
InChIInChI=1S/C9H7N3O3/c13-7-2-1-5(4-10-7)3-6-8(14)12-9(15)11-6/h1-4H,(H,10,13)(H2,11,12,14,15)/b6-3+
InChIKeyKCGRXDLDBDVSCP-ZZXKWVIFSA-N
XLogP-0.44
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
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 (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione (CID 122186474) is (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(=O)[nH]c2)N1.
What is the InChIKey of (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is KCGRXDLDBDVSCP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-7-2-1-5(4-10-7)3-6-8(14)12-9(15)11-6/h1-4H,(H,10,13)(H2,11,12,14,15)/b6-3+.
What are the key properties of (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 205.17 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(6-oxo-1H-pyridin-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 122186474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).