1-methoxyaziridine-2,2-dicarboxamide

C5H9N3O3 — CID 573857

IUPAC1-methoxyaziridine-2,2-dicarboxamide
SMILESCON1CC1(C(N)=O)C(N)=O
InChIInChI=1S/C5H9N3O3/c1-11-8-2-5(8,3(6)9)4(7)10/h2H2,1H3,(H2,6,9)(H2,7,10)
InChIKeyXEHLHVSHUHMYMO-UHFFFAOYSA-N
MW159.15 g/mol
LogP-2.43
Rot. Bonds3

About 1-methoxyaziridine-2,2-dicarboxamide

1-methoxyaziridine-2,2-dicarboxamide (PubChem CID 573857) has the molecular formula C5H9N3O3 and a molecular weight of 159.15 g/mol. Its IUPAC name is 1-methoxyaziridine-2,2-dicarboxamide.

Molecular Properties

Compound Name1-methoxyaziridine-2,2-dicarboxamide
PubChem CID573857
Molecular FormulaC5H9N3O3
Molecular Weight159.15 g/mol
Exact Mass159.06
IUPAC Name1-methoxyaziridine-2,2-dicarboxamide
SMILESCON1CC1(C(N)=O)C(N)=O
InChIInChI=1S/C5H9N3O3/c1-11-8-2-5(8,3(6)9)4(7)10/h2H2,1H3,(H2,6,9)(H2,7,10)
InChIKeyXEHLHVSHUHMYMO-UHFFFAOYSA-N
XLogP-2.43
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyaziridine-2,2-dicarboxamide?
The IUPAC name of 1-methoxyaziridine-2,2-dicarboxamide (CID 573857) is 1-methoxyaziridine-2,2-dicarboxamide.
What is the SMILES notation for 1-methoxyaziridine-2,2-dicarboxamide?
The canonical SMILES for 1-methoxyaziridine-2,2-dicarboxamide is CON1CC1(C(N)=O)C(N)=O.
What is the InChIKey of 1-methoxyaziridine-2,2-dicarboxamide?
The InChIKey is XEHLHVSHUHMYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-11-8-2-5(8,3(6)9)4(7)10/h2H2,1H3,(H2,6,9)(H2,7,10).
What are the key properties of 1-methoxyaziridine-2,2-dicarboxamide?
1-methoxyaziridine-2,2-dicarboxamide has a molecular weight of 159.15 g/mol, XLogP of -2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyaziridine-2,2-dicarboxamide is sourced from PubChem (CID 573857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).