(E)-4-amino-N,N-dimethylbut-2-enamide

C6H12N2O — CID 130533155

IUPAC(E)-4-amino-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/CN
InChIInChI=1S/C6H12N2O/c1-8(2)6(9)4-3-5-7/h3-4H,5,7H2,1-2H3/b4-3+
InChIKeyGKODFRMSNWLBAD-ONEGZZNKSA-N
MW128.17 g/mol
LogP-0.41
Rot. Bonds2

About (E)-4-amino-N,N-dimethylbut-2-enamide

(E)-4-amino-N,N-dimethylbut-2-enamide (PubChem CID 130533155) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (E)-4-amino-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N,N-dimethylbut-2-enamide
PubChem CID130533155
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(E)-4-amino-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/CN
InChIInChI=1S/C6H12N2O/c1-8(2)6(9)4-3-5-7/h3-4H,5,7H2,1-2H3/b4-3+
InChIKeyGKODFRMSNWLBAD-ONEGZZNKSA-N
XLogP-0.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methylbut-2-enamide
CID 12501466
N-Methylsorbamide
CID 14364541
(E)-4-(dimethylamino)-N-methylbut-2-enamide
CID 20813441
(E)-4-(azetidin-1-yl)-N-methylbut-2-enamide
CID 118400745
Butenamide, N,N-dimethyl-
CID 5365902
2-Butenamide, N-2-propenyl-
CID 5354840
(E)-4-(Dimethylamino)but-2-enamide
CID 10582800
(2E)-4-amino-N-methylbut-2-enamide hydrochloride
CID 122243080
(2E)-4-amino-N,N-dimethylbut-2-enamide hydrochloride
CID 134163223
(2E)-N-methyl-4-(methylamino)but-2-enamide hydrochloride
CID 134163228
(2E)-4-(dimethylamino)-N-(prop-2-yn-1-yl)but-2-enamide
CID 138987631
N,N-Dimethyl-2-butenamide
CID 141000

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N,N-dimethylbut-2-enamide?
The IUPAC name of (E)-4-amino-N,N-dimethylbut-2-enamide (CID 130533155) is (E)-4-amino-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (E)-4-amino-N,N-dimethylbut-2-enamide?
The canonical SMILES for (E)-4-amino-N,N-dimethylbut-2-enamide is CN(C)C(=O)/C=C/CN.
What is the InChIKey of (E)-4-amino-N,N-dimethylbut-2-enamide?
The InChIKey is GKODFRMSNWLBAD-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8(2)6(9)4-3-5-7/h3-4H,5,7H2,1-2H3/b4-3+.
What are the key properties of (E)-4-amino-N,N-dimethylbut-2-enamide?
(E)-4-amino-N,N-dimethylbut-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 130533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).