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

C8H12N2O — CID 123536896

IUPAC2-ethenylimino-N,N-dimethylbut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)N(C)C
InChIInChI=1S/C8H12N2O/c1-5-7(9-6-2)8(11)10(3)4/h5-6H,1-2H2,3-4H3/b9-7+
InChIKeyGPULWDCOXXBGDL-VQHVLOKHSA-N
MW152.20 g/mol
LogP0.85
Rot. Bonds3

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

2-ethenylimino-N,N-dimethylbut-3-enamide (PubChem CID 123536896) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethenylimino-N,N-dimethylbut-3-enamide.

Molecular Properties

Compound Name2-ethenylimino-N,N-dimethylbut-3-enamide
PubChem CID123536896
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethenylimino-N,N-dimethylbut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)N(C)C
InChIInChI=1S/C8H12N2O/c1-5-7(9-6-2)8(11)10(3)4/h5-6H,1-2H2,3-4H3/b9-7+
InChIKeyGPULWDCOXXBGDL-VQHVLOKHSA-N
XLogP0.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[(E)-2-amino-2-chloroethenyl]imino-N,N-dimethylbut-3-enamide
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Acetyl-(1-chloro-3-prop-1-enyliminobut-1-enyl)-dimethylazanium
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CID 144475825

Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N,N-dimethylbut-3-enamide?
The IUPAC name of 2-ethenylimino-N,N-dimethylbut-3-enamide (CID 123536896) is 2-ethenylimino-N,N-dimethylbut-3-enamide.
What is the SMILES notation for 2-ethenylimino-N,N-dimethylbut-3-enamide?
The canonical SMILES for 2-ethenylimino-N,N-dimethylbut-3-enamide is C=C/N=C(\C=C)C(=O)N(C)C.
What is the InChIKey of 2-ethenylimino-N,N-dimethylbut-3-enamide?
The InChIKey is GPULWDCOXXBGDL-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-7(9-6-2)8(11)10(3)4/h5-6H,1-2H2,3-4H3/b9-7+.
What are the key properties of 2-ethenylimino-N,N-dimethylbut-3-enamide?
2-ethenylimino-N,N-dimethylbut-3-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N,N-dimethylbut-3-enamide is sourced from PubChem (CID 123536896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).