5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde

C5H6N2O4 — CID 14563033

IUPAC5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde
SMILESCN1C(=O)C(O)N(C=O)C1=O
InChIInChI=1S/C5H6N2O4/c1-6-3(9)4(10)7(2-8)5(6)11/h2,4,10H,1H3
InChIKeyOMEOQKGCYVFJID-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.64
Rot. Bonds1

About 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde

5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde (PubChem CID 14563033) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde
PubChem CID14563033
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde
SMILESCN1C(=O)C(O)N(C=O)C1=O
InChIInChI=1S/C5H6N2O4/c1-6-3(9)4(10)7(2-8)5(6)11/h2,4,10H,1H3
InChIKeyOMEOQKGCYVFJID-UHFFFAOYSA-N
XLogP-1.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde?
The IUPAC name of 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde (CID 14563033) is 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde.
What is the SMILES notation for 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde?
The canonical SMILES for 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde is CN1C(=O)C(O)N(C=O)C1=O.
What is the InChIKey of 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde?
The InChIKey is OMEOQKGCYVFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-6-3(9)4(10)7(2-8)5(6)11/h2,4,10H,1H3.
What are the key properties of 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde?
5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde has a molecular weight of 158.11 g/mol, XLogP of -1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde is sourced from PubChem (CID 14563033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).