N,3-dimethyloxirane-2-carboxamide;ethene

C7H13NO2 — CID 159367774

IUPACN,3-dimethyloxirane-2-carboxamide;ethene
SMILESC=C.CNC(=O)C1OC1C
InChIInChI=1S/C5H9NO2.C2H4/c1-3-4(8-3)5(7)6-2;1-2/h3-4H,1-2H3,(H,6,7);1-2H2
InChIKeyLJISBJMQQWNVBS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds1

About N,3-dimethyloxirane-2-carboxamide;ethene

N,3-dimethyloxirane-2-carboxamide;ethene (PubChem CID 159367774) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,3-dimethyloxirane-2-carboxamide;ethene.

Molecular Properties

Compound NameN,3-dimethyloxirane-2-carboxamide;ethene
PubChem CID159367774
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,3-dimethyloxirane-2-carboxamide;ethene
SMILESC=C.CNC(=O)C1OC1C
InChIInChI=1S/C5H9NO2.C2H4/c1-3-4(8-3)5(7)6-2;1-2/h3-4H,1-2H3,(H,6,7);1-2H2
InChIKeyLJISBJMQQWNVBS-UHFFFAOYSA-N
XLogP0.32
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyloxirane-2-carboxamide;ethene?
The IUPAC name of N,3-dimethyloxirane-2-carboxamide;ethene (CID 159367774) is N,3-dimethyloxirane-2-carboxamide;ethene.
What is the SMILES notation for N,3-dimethyloxirane-2-carboxamide;ethene?
The canonical SMILES for N,3-dimethyloxirane-2-carboxamide;ethene is C=C.CNC(=O)C1OC1C.
What is the InChIKey of N,3-dimethyloxirane-2-carboxamide;ethene?
The InChIKey is LJISBJMQQWNVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H4/c1-3-4(8-3)5(7)6-2;1-2/h3-4H,1-2H3,(H,6,7);1-2H2.
What are the key properties of N,3-dimethyloxirane-2-carboxamide;ethene?
N,3-dimethyloxirane-2-carboxamide;ethene has a molecular weight of 143.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyloxirane-2-carboxamide;ethene is sourced from PubChem (CID 159367774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).