4-(dimethylamino)but-2-enamide;hydrochloride

C6H13ClN2O — CID 175776064

IUPAC4-(dimethylamino)but-2-enamide;hydrochloride
SMILESCN(C)CC=CC(N)=O.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3,(H2,7,9);1H
InChIKeyAVPIOEHPMLLFPY-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.01
Rot. Bonds3

About 4-(dimethylamino)but-2-enamide;hydrochloride

4-(dimethylamino)but-2-enamide;hydrochloride (PubChem CID 175776064) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 4-(dimethylamino)but-2-enamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)but-2-enamide;hydrochloride
PubChem CID175776064
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name4-(dimethylamino)but-2-enamide;hydrochloride
SMILESCN(C)CC=CC(N)=O.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3,(H2,7,9);1H
InChIKeyAVPIOEHPMLLFPY-UHFFFAOYSA-N
XLogP0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)but-2-enamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)but-2-enamide;hydrochloride (CID 175776064) is 4-(dimethylamino)but-2-enamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)but-2-enamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)but-2-enamide;hydrochloride is CN(C)CC=CC(N)=O.Cl.
What is the InChIKey of 4-(dimethylamino)but-2-enamide;hydrochloride?
The InChIKey is AVPIOEHPMLLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3,(H2,7,9);1H.
What are the key properties of 4-(dimethylamino)but-2-enamide;hydrochloride?
4-(dimethylamino)but-2-enamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)but-2-enamide;hydrochloride is sourced from PubChem (CID 175776064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).