3-hydroxybenzoic acid;imidazolidine-2,4-dione

C10H10N2O5 — CID 157464345

IUPAC3-hydroxybenzoic acid;imidazolidine-2,4-dione
SMILESO=C(O)c1cccc(O)c1.O=C1CNC(=O)N1
InChIInChI=1S/C7H6O3.C3H4N2O2/c8-6-3-1-2-5(4-6)7(9)10;6-2-1-4-3(7)5-2/h1-4,8H,(H,9,10);1H2,(H2,4,5,6,7)
InChIKeyBUHIUDBTUVQUHY-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.08
Rot. Bonds1

About 3-hydroxybenzoic acid;imidazolidine-2,4-dione

3-hydroxybenzoic acid;imidazolidine-2,4-dione (PubChem CID 157464345) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 3-hydroxybenzoic acid;imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxybenzoic acid;imidazolidine-2,4-dione
PubChem CID157464345
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name3-hydroxybenzoic acid;imidazolidine-2,4-dione
SMILESO=C(O)c1cccc(O)c1.O=C1CNC(=O)N1
InChIInChI=1S/C7H6O3.C3H4N2O2/c8-6-3-1-2-5(4-6)7(9)10;6-2-1-4-3(7)5-2/h1-4,8H,(H,9,10);1H2,(H2,4,5,6,7)
InChIKeyBUHIUDBTUVQUHY-UHFFFAOYSA-N
XLogP-0.08
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzoic acid;imidazolidine-2,4-dione?
The IUPAC name of 3-hydroxybenzoic acid;imidazolidine-2,4-dione (CID 157464345) is 3-hydroxybenzoic acid;imidazolidine-2,4-dione.
What is the SMILES notation for 3-hydroxybenzoic acid;imidazolidine-2,4-dione?
The canonical SMILES for 3-hydroxybenzoic acid;imidazolidine-2,4-dione is O=C(O)c1cccc(O)c1.O=C1CNC(=O)N1.
What is the InChIKey of 3-hydroxybenzoic acid;imidazolidine-2,4-dione?
The InChIKey is BUHIUDBTUVQUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C3H4N2O2/c8-6-3-1-2-5(4-6)7(9)10;6-2-1-4-3(7)5-2/h1-4,8H,(H,9,10);1H2,(H2,4,5,6,7).
What are the key properties of 3-hydroxybenzoic acid;imidazolidine-2,4-dione?
3-hydroxybenzoic acid;imidazolidine-2,4-dione has a molecular weight of 238.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzoic acid;imidazolidine-2,4-dione is sourced from PubChem (CID 157464345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).