ethane;2-ethenylimino-N,3-dimethylbut-3-enamide

C12H24N2O — CID 178149715

IUPACethane;2-ethenylimino-N,3-dimethylbut-3-enamide
SMILESC=C/N=C(\C(=C)C)C(=O)NC.CC.CC
InChIInChI=1S/C8H12N2O.2C2H6/c1-5-10-7(6(2)3)8(11)9-4;2*1-2/h5H,1-2H2,3-4H3,(H,9,11);2*1-2H3/b10-7+;;
InChIKeyGLONCZXEFGPCHG-WRQJSNHTSA-N
MW212.34 g/mol
LogP2.95
Rot. Bonds3

About ethane;2-ethenylimino-N,3-dimethylbut-3-enamide

ethane;2-ethenylimino-N,3-dimethylbut-3-enamide (PubChem CID 178149715) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;2-ethenylimino-N,3-dimethylbut-3-enamide.

Molecular Properties

Compound Nameethane;2-ethenylimino-N,3-dimethylbut-3-enamide
PubChem CID178149715
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nameethane;2-ethenylimino-N,3-dimethylbut-3-enamide
SMILESC=C/N=C(\C(=C)C)C(=O)NC.CC.CC
InChIInChI=1S/C8H12N2O.2C2H6/c1-5-10-7(6(2)3)8(11)9-4;2*1-2/h5H,1-2H2,3-4H3,(H,9,11);2*1-2H3/b10-7+;;
InChIKeyGLONCZXEFGPCHG-WRQJSNHTSA-N
XLogP2.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.95
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 ethane;2-ethenylimino-N,3-dimethylbut-3-enamide?
The IUPAC name of ethane;2-ethenylimino-N,3-dimethylbut-3-enamide (CID 178149715) is ethane;2-ethenylimino-N,3-dimethylbut-3-enamide.
What is the SMILES notation for ethane;2-ethenylimino-N,3-dimethylbut-3-enamide?
The canonical SMILES for ethane;2-ethenylimino-N,3-dimethylbut-3-enamide is C=C/N=C(\C(=C)C)C(=O)NC.CC.CC.
What is the InChIKey of ethane;2-ethenylimino-N,3-dimethylbut-3-enamide?
The InChIKey is GLONCZXEFGPCHG-WRQJSNHTSA-N. The full InChI is InChI=1S/C8H12N2O.2C2H6/c1-5-10-7(6(2)3)8(11)9-4;2*1-2/h5H,1-2H2,3-4H3,(H,9,11);2*1-2H3/b10-7+;;.
What are the key properties of ethane;2-ethenylimino-N,3-dimethylbut-3-enamide?
ethane;2-ethenylimino-N,3-dimethylbut-3-enamide has a molecular weight of 212.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenylimino-N,3-dimethylbut-3-enamide is sourced from PubChem (CID 178149715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).