3-methyl-5-oxoimidazolidine-4-carboxamide

C5H9N3O2 — CID 45084197

IUPAC3-methyl-5-oxoimidazolidine-4-carboxamide
SMILESCN1CNC(=O)C1C(N)=O
InChIInChI=1S/C5H9N3O2/c1-8-2-7-5(10)3(8)4(6)9/h3H,2H2,1H3,(H2,6,9)(H,7,10)
InChIKeyNFLUQVYPHULOGY-UHFFFAOYSA-N
MW143.15 g/mol
LogP-2.14
Rot. Bonds1

About 3-methyl-5-oxoimidazolidine-4-carboxamide

3-methyl-5-oxoimidazolidine-4-carboxamide (PubChem CID 45084197) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-methyl-5-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxoimidazolidine-4-carboxamide
PubChem CID45084197
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-methyl-5-oxoimidazolidine-4-carboxamide
SMILESCN1CNC(=O)C1C(N)=O
InChIInChI=1S/C5H9N3O2/c1-8-2-7-5(10)3(8)4(6)9/h3H,2H2,1H3,(H2,6,9)(H,7,10)
InChIKeyNFLUQVYPHULOGY-UHFFFAOYSA-N
XLogP-2.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxoimidazolidine-4-carboxamide?
The IUPAC name of 3-methyl-5-oxoimidazolidine-4-carboxamide (CID 45084197) is 3-methyl-5-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 3-methyl-5-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 3-methyl-5-oxoimidazolidine-4-carboxamide is CN1CNC(=O)C1C(N)=O.
What is the InChIKey of 3-methyl-5-oxoimidazolidine-4-carboxamide?
The InChIKey is NFLUQVYPHULOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-8-2-7-5(10)3(8)4(6)9/h3H,2H2,1H3,(H2,6,9)(H,7,10).
What are the key properties of 3-methyl-5-oxoimidazolidine-4-carboxamide?
3-methyl-5-oxoimidazolidine-4-carboxamide has a molecular weight of 143.15 g/mol, XLogP of -2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 45084197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).