(E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride

C6H13ClN2O — CID 134163228

IUPAC(E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride
SMILESCNC/C=C/C(=O)NC.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-7-5-3-4-6(9)8-2;/h3-4,7H,5H2,1-2H3,(H,8,9);1H/b4-3+;
InChIKeyHMAAAOROZPTUFX-BJILWQEISA-N
MW164.64 g/mol
LogP-0.07
Rot. Bonds3

About (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride

(E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride (PubChem CID 134163228) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride
PubChem CID134163228
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride
SMILESCNC/C=C/C(=O)NC.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-7-5-3-4-6(9)8-2;/h3-4,7H,5H2,1-2H3,(H,8,9);1H/b4-3+;
InChIKeyHMAAAOROZPTUFX-BJILWQEISA-N
XLogP-0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride?
The IUPAC name of (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride (CID 134163228) is (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride is CNC/C=C/C(=O)NC.Cl.
What is the InChIKey of (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride?
The InChIKey is HMAAAOROZPTUFX-BJILWQEISA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-7-5-3-4-6(9)8-2;/h3-4,7H,5H2,1-2H3,(H,8,9);1H/b4-3+;.
What are the key properties of (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride?
(E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(methylamino)but-2-enamide;hydrochloride is sourced from PubChem (CID 134163228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).