dioxirane-3-carboxamide

C2H3NO3 — CID 101107076

IUPACdioxirane-3-carboxamide
SMILESNC(=O)C1OO1
InChIInChI=1S/C2H3NO3/c3-1(4)2-5-6-2/h2H,(H2,3,4)
InChIKeyAERHHQUZBJRRCC-UHFFFAOYSA-N
MW89.05 g/mol
LogP-1.24
Rot. Bonds1

About dioxirane-3-carboxamide

dioxirane-3-carboxamide (PubChem CID 101107076) has the molecular formula C2H3NO3 and a molecular weight of 89.05 g/mol. Its IUPAC name is dioxirane-3-carboxamide.

Molecular Properties

Compound Namedioxirane-3-carboxamide
PubChem CID101107076
Molecular FormulaC2H3NO3
Molecular Weight89.05 g/mol
Exact Mass89.01
IUPAC Namedioxirane-3-carboxamide
SMILESNC(=O)C1OO1
InChIInChI=1S/C2H3NO3/c3-1(4)2-5-6-2/h2H,(H2,3,4)
InChIKeyAERHHQUZBJRRCC-UHFFFAOYSA-N
XLogP-1.24
TPSA68.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.05
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxaziridine-3-carboxamide
CID 174504265
2-(dioxiran-3-yl)-2-oxoacetic acid
CID 91134451
acetamide
CID 139024037
methanol;urea
CID 174800234
diamino(113C)methanone
CID 636363
[[carbamoyl(dimethyl)silyl]-dimethylsilyl]formamide
CID 89106890
2,2,2-trideuterioacetamide;trihydrochloride
CID 141271471
acetamide;titanium
CID 159756610
acetamide;alumane
CID 174673000
acetamide;bismuthane
CID 174469104
acetamide;rhodium(2+)
CID 159449063
2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91310410

Frequently Asked Questions

What is the IUPAC name of dioxirane-3-carboxamide?
The IUPAC name of dioxirane-3-carboxamide (CID 101107076) is dioxirane-3-carboxamide.
What is the SMILES notation for dioxirane-3-carboxamide?
The canonical SMILES for dioxirane-3-carboxamide is NC(=O)C1OO1.
What is the InChIKey of dioxirane-3-carboxamide?
The InChIKey is AERHHQUZBJRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO3/c3-1(4)2-5-6-2/h2H,(H2,3,4).
What are the key properties of dioxirane-3-carboxamide?
dioxirane-3-carboxamide has a molecular weight of 89.05 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxirane-3-carboxamide is sourced from PubChem (CID 101107076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).