1-methoxyaziridine-2-carboxamide

C4H8N2O2 — CID 567184

IUPAC1-methoxyaziridine-2-carboxamide
SMILESCON1CC1C(N)=O
InChIInChI=1S/C4H8N2O2/c1-8-6-2-3(6)4(5)7/h3H,2H2,1H3,(H2,5,7)
InChIKeyGUDAPRGEJOYFBQ-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.28
Rot. Bonds2

About 1-methoxyaziridine-2-carboxamide

1-methoxyaziridine-2-carboxamide (PubChem CID 567184) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 1-methoxyaziridine-2-carboxamide.

Molecular Properties

Compound Name1-methoxyaziridine-2-carboxamide
PubChem CID567184
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name1-methoxyaziridine-2-carboxamide
SMILESCON1CC1C(N)=O
InChIInChI=1S/C4H8N2O2/c1-8-6-2-3(6)4(5)7/h3H,2H2,1H3,(H2,5,7)
InChIKeyGUDAPRGEJOYFBQ-UHFFFAOYSA-N
XLogP-1.28
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyaziridine-2-carboxamide?
The IUPAC name of 1-methoxyaziridine-2-carboxamide (CID 567184) is 1-methoxyaziridine-2-carboxamide.
What is the SMILES notation for 1-methoxyaziridine-2-carboxamide?
The canonical SMILES for 1-methoxyaziridine-2-carboxamide is CON1CC1C(N)=O.
What is the InChIKey of 1-methoxyaziridine-2-carboxamide?
The InChIKey is GUDAPRGEJOYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-8-6-2-3(6)4(5)7/h3H,2H2,1H3,(H2,5,7).
What are the key properties of 1-methoxyaziridine-2-carboxamide?
1-methoxyaziridine-2-carboxamide has a molecular weight of 116.12 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyaziridine-2-carboxamide is sourced from PubChem (CID 567184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).