2-ethenylimino-N-(trideuteriomethyl)propanamide

C6H10N2O — CID 89424951

IUPAC2-ethenylimino-N-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])NC(=O)/C(C)=N/C=C
InChIInChI=1S/C6H10N2O/c1-4-8-5(2)6(9)7-3/h4H,1H2,2-3H3,(H,7,9)/b8-5+/i3D3
InChIKeyHGDODGDDROEEAW-GOUIHWDUSA-N
MW129.18 g/mol
LogP0.34
Rot. Bonds3

About 2-ethenylimino-N-(trideuteriomethyl)propanamide

2-ethenylimino-N-(trideuteriomethyl)propanamide (PubChem CID 89424951) has the molecular formula C6H10N2O and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-ethenylimino-N-(trideuteriomethyl)propanamide.

Molecular Properties

Compound Name2-ethenylimino-N-(trideuteriomethyl)propanamide
PubChem CID89424951
Molecular FormulaC6H10N2O
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-ethenylimino-N-(trideuteriomethyl)propanamide
SMILES[2H]C([2H])([2H])NC(=O)/C(C)=N/C=C
InChIInChI=1S/C6H10N2O/c1-4-8-5(2)6(9)7-3/h4H,1H2,2-3H3,(H,7,9)/b8-5+/i3D3
InChIKeyHGDODGDDROEEAW-GOUIHWDUSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N-(trideuteriomethyl)propanamide?
The IUPAC name of 2-ethenylimino-N-(trideuteriomethyl)propanamide (CID 89424951) is 2-ethenylimino-N-(trideuteriomethyl)propanamide.
What is the SMILES notation for 2-ethenylimino-N-(trideuteriomethyl)propanamide?
The canonical SMILES for 2-ethenylimino-N-(trideuteriomethyl)propanamide is [2H]C([2H])([2H])NC(=O)/C(C)=N/C=C.
What is the InChIKey of 2-ethenylimino-N-(trideuteriomethyl)propanamide?
The InChIKey is HGDODGDDROEEAW-GOUIHWDUSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-8-5(2)6(9)7-3/h4H,1H2,2-3H3,(H,7,9)/b8-5+/i3D3.
What are the key properties of 2-ethenylimino-N-(trideuteriomethyl)propanamide?
2-ethenylimino-N-(trideuteriomethyl)propanamide has a molecular weight of 129.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-(trideuteriomethyl)propanamide is sourced from PubChem (CID 89424951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).