imidazolidine-2,4-dione;pyrazolidin-3-one

C6H10N4O3 — CID 67936630

IUPACimidazolidine-2,4-dione;pyrazolidin-3-one
SMILESO=C1CCNN1.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C3H6N2O/c6-2-1-4-3(7)5-2;6-3-1-2-4-5-3/h1H2,(H2,4,5,6,7);4H,1-2H2,(H,5,6)
InChIKeyCENLSTQGKDKAAS-UHFFFAOYSA-N
MW186.17 g/mol
LogP-2.16
Rot. Bonds

About imidazolidine-2,4-dione;pyrazolidin-3-one

imidazolidine-2,4-dione;pyrazolidin-3-one (PubChem CID 67936630) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is imidazolidine-2,4-dione;pyrazolidin-3-one.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;pyrazolidin-3-one
PubChem CID67936630
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Nameimidazolidine-2,4-dione;pyrazolidin-3-one
SMILESO=C1CCNN1.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C3H6N2O/c6-2-1-4-3(7)5-2;6-3-1-2-4-5-3/h1H2,(H2,4,5,6,7);4H,1-2H2,(H,5,6)
InChIKeyCENLSTQGKDKAAS-UHFFFAOYSA-N
XLogP-2.16
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;pyrazolidin-3-one?
The IUPAC name of imidazolidine-2,4-dione;pyrazolidin-3-one (CID 67936630) is imidazolidine-2,4-dione;pyrazolidin-3-one.
What is the SMILES notation for imidazolidine-2,4-dione;pyrazolidin-3-one?
The canonical SMILES for imidazolidine-2,4-dione;pyrazolidin-3-one is O=C1CCNN1.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;pyrazolidin-3-one?
The InChIKey is CENLSTQGKDKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.C3H6N2O/c6-2-1-4-3(7)5-2;6-3-1-2-4-5-3/h1H2,(H2,4,5,6,7);4H,1-2H2,(H,5,6).
What are the key properties of imidazolidine-2,4-dione;pyrazolidin-3-one?
imidazolidine-2,4-dione;pyrazolidin-3-one has a molecular weight of 186.17 g/mol, XLogP of -2.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;pyrazolidin-3-one is sourced from PubChem (CID 67936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).