(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide

C8H16N2O — CID 172623936

IUPAC(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide
SMILESC/C=C(/CN(C)C)C(=O)NC
InChIInChI=1S/C8H16N2O/c1-5-7(6-10(3)4)8(11)9-2/h5H,6H2,1-4H3,(H,9,11)/b7-5-
InChIKeyRJJJRFDMJGVIDJ-ALCCZGGFSA-N
MW156.23 g/mol
LogP0.24
Rot. Bonds3

About (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide

(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide (PubChem CID 172623936) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide
PubChem CID172623936
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide
SMILESC/C=C(/CN(C)C)C(=O)NC
InChIInChI=1S/C8H16N2O/c1-5-7(6-10(3)4)8(11)9-2/h5H,6H2,1-4H3,(H,9,11)/b7-5-
InChIKeyRJJJRFDMJGVIDJ-ALCCZGGFSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
CID 171507573
(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide
CID 177014577
N'-[3-(dimethylamino)propyl]-N,N'-dimethyloxamide
CID 154666633
N,N'-di((113C)methyl)oxamide
CID 169438737
3-(hydroxymethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 154089719
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
2-(dimethylamino)-N-methyl-2-sulfanylideneacetamide
CID 55288321
1,3-dimethyl-1-(2-methylprop-2-enyl)urea
CID 115964722
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309
6-(dimethylamino)-N-methylhexanamide
CID 58019688
2-fluoro-N-methylbut-2-enamide
CID 76578732
[4-amino-2-(2-amino-2-oxoethyl)-4-(methylamino)-3-(methylcarbamoyl)buta-1,3-dienyl]azanium
CID 146694522

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide?
The IUPAC name of (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide (CID 172623936) is (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide?
The canonical SMILES for (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide is C/C=C(/CN(C)C)C(=O)NC.
What is the InChIKey of (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide?
The InChIKey is RJJJRFDMJGVIDJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-7(6-10(3)4)8(11)9-2/h5H,6H2,1-4H3,(H,9,11)/b7-5-.
What are the key properties of (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide?
(Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(dimethylamino)methyl]-N-methylbut-2-enamide is sourced from PubChem (CID 172623936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).