1-ethoxyaziridine-2-carboxamide

C5H10N2O2 — CID 533738

IUPAC1-ethoxyaziridine-2-carboxamide
SMILESCCON1CC1C(N)=O
InChIInChI=1S/C5H10N2O2/c1-2-9-7-3-4(7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)
InChIKeyJTOPVFPJNGCHBH-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.89
Rot. Bonds3

About 1-ethoxyaziridine-2-carboxamide

1-ethoxyaziridine-2-carboxamide (PubChem CID 533738) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-ethoxyaziridine-2-carboxamide.

Molecular Properties

Compound Name1-ethoxyaziridine-2-carboxamide
PubChem CID533738
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-ethoxyaziridine-2-carboxamide
SMILESCCON1CC1C(N)=O
InChIInChI=1S/C5H10N2O2/c1-2-9-7-3-4(7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)
InChIKeyJTOPVFPJNGCHBH-UHFFFAOYSA-N
XLogP-0.89
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.89
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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Related Compounds

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CID 53731389
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CID 58798253
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CID 7584059
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CID 7584060
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CID 12293494
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CID 12293495
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CID 23272153
CID 23272153

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyaziridine-2-carboxamide?
The IUPAC name of 1-ethoxyaziridine-2-carboxamide (CID 533738) is 1-ethoxyaziridine-2-carboxamide.
What is the SMILES notation for 1-ethoxyaziridine-2-carboxamide?
The canonical SMILES for 1-ethoxyaziridine-2-carboxamide is CCON1CC1C(N)=O.
What is the InChIKey of 1-ethoxyaziridine-2-carboxamide?
The InChIKey is JTOPVFPJNGCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-9-7-3-4(7)5(6)8/h4H,2-3H2,1H3,(H2,6,8).
What are the key properties of 1-ethoxyaziridine-2-carboxamide?
1-ethoxyaziridine-2-carboxamide has a molecular weight of 130.15 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyaziridine-2-carboxamide is sourced from PubChem (CID 533738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).