ethane;N'-methyloxamide

C5H12N2O2 — CID 176938398

IUPACethane;N'-methyloxamide
SMILESCC.CNC(=O)C(N)=O
InChIInChI=1S/C3H6N2O2.C2H6/c1-5-3(7)2(4)6;1-2/h1H3,(H2,4,6)(H,5,7);1-2H3
InChIKeyXNWNMQZUJIVRDG-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.76
Rot. Bonds

About ethane;N'-methyloxamide

ethane;N'-methyloxamide (PubChem CID 176938398) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethane;N'-methyloxamide.

Molecular Properties

Compound Nameethane;N'-methyloxamide
PubChem CID176938398
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameethane;N'-methyloxamide
SMILESCC.CNC(=O)C(N)=O
InChIInChI=1S/C3H6N2O2.C2H6/c1-5-3(7)2(4)6;1-2/h1H3,(H2,4,6)(H,5,7);1-2H3
InChIKeyXNWNMQZUJIVRDG-UHFFFAOYSA-N
XLogP-0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyloxamide?
The IUPAC name of ethane;N'-methyloxamide (CID 176938398) is ethane;N'-methyloxamide.
What is the SMILES notation for ethane;N'-methyloxamide?
The canonical SMILES for ethane;N'-methyloxamide is CC.CNC(=O)C(N)=O.
What is the InChIKey of ethane;N'-methyloxamide?
The InChIKey is XNWNMQZUJIVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2.C2H6/c1-5-3(7)2(4)6;1-2/h1H3,(H2,4,6)(H,5,7);1-2H3.
What are the key properties of ethane;N'-methyloxamide?
ethane;N'-methyloxamide has a molecular weight of 132.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyloxamide is sourced from PubChem (CID 176938398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).