1-acetyl-5-hydroxyimidazolidine-2,4-dione

C5H6N2O4 — CID 14563037

IUPAC1-acetyl-5-hydroxyimidazolidine-2,4-dione
SMILESCC(=O)N1C(=O)NC(=O)C1O
InChIInChI=1S/C5H6N2O4/c1-2(8)7-4(10)3(9)6-5(7)11/h4,10H,1H3,(H,6,9,11)
InChIKeyVHIFYFPCJVVECI-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.60
Rot. Bonds

About 1-acetyl-5-hydroxyimidazolidine-2,4-dione

1-acetyl-5-hydroxyimidazolidine-2,4-dione (PubChem CID 14563037) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 1-acetyl-5-hydroxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-acetyl-5-hydroxyimidazolidine-2,4-dione
PubChem CID14563037
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name1-acetyl-5-hydroxyimidazolidine-2,4-dione
SMILESCC(=O)N1C(=O)NC(=O)C1O
InChIInChI=1S/C5H6N2O4/c1-2(8)7-4(10)3(9)6-5(7)11/h4,10H,1H3,(H,6,9,11)
InChIKeyVHIFYFPCJVVECI-UHFFFAOYSA-N
XLogP-1.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
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 1-acetyl-5-hydroxyimidazolidine-2,4-dione?
The IUPAC name of 1-acetyl-5-hydroxyimidazolidine-2,4-dione (CID 14563037) is 1-acetyl-5-hydroxyimidazolidine-2,4-dione.
What is the SMILES notation for 1-acetyl-5-hydroxyimidazolidine-2,4-dione?
The canonical SMILES for 1-acetyl-5-hydroxyimidazolidine-2,4-dione is CC(=O)N1C(=O)NC(=O)C1O.
What is the InChIKey of 1-acetyl-5-hydroxyimidazolidine-2,4-dione?
The InChIKey is VHIFYFPCJVVECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-2(8)7-4(10)3(9)6-5(7)11/h4,10H,1H3,(H,6,9,11).
What are the key properties of 1-acetyl-5-hydroxyimidazolidine-2,4-dione?
1-acetyl-5-hydroxyimidazolidine-2,4-dione has a molecular weight of 158.11 g/mol, XLogP of -1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-hydroxyimidazolidine-2,4-dione is sourced from PubChem (CID 14563037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).