2-ethenylimino-N-methylbut-3-enamide

C7H10N2O — CID 166171071

IUPAC2-ethenylimino-N-methylbut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NC
InChIInChI=1S/C7H10N2O/c1-4-6(9-5-2)7(10)8-3/h4-5H,1-2H2,3H3,(H,8,10)/b9-6+
InChIKeyDQJJPEZMVTXUDU-RMKNXTFCSA-N
MW138.17 g/mol
LogP0.50
Rot. Bonds3

About 2-ethenylimino-N-methylbut-3-enamide

2-ethenylimino-N-methylbut-3-enamide (PubChem CID 166171071) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethenylimino-N-methylbut-3-enamide.

Molecular Properties

Compound Name2-ethenylimino-N-methylbut-3-enamide
PubChem CID166171071
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-ethenylimino-N-methylbut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NC
InChIInChI=1S/C7H10N2O/c1-4-6(9-5-2)7(10)8-3/h4-5H,1-2H2,3H3,(H,8,10)/b9-6+
InChIKeyDQJJPEZMVTXUDU-RMKNXTFCSA-N
XLogP0.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.50
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-methylbut-3-enamide?
The IUPAC name of 2-ethenylimino-N-methylbut-3-enamide (CID 166171071) is 2-ethenylimino-N-methylbut-3-enamide.
What is the SMILES notation for 2-ethenylimino-N-methylbut-3-enamide?
The canonical SMILES for 2-ethenylimino-N-methylbut-3-enamide is C=C/N=C(\C=C)C(=O)NC.
What is the InChIKey of 2-ethenylimino-N-methylbut-3-enamide?
The InChIKey is DQJJPEZMVTXUDU-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-6(9-5-2)7(10)8-3/h4-5H,1-2H2,3H3,(H,8,10)/b9-6+.
What are the key properties of 2-ethenylimino-N-methylbut-3-enamide?
2-ethenylimino-N-methylbut-3-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-methylbut-3-enamide is sourced from PubChem (CID 166171071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).