4-(dimethylamino)but-2-enamide

C6H12N2O — CID 54514979

IUPAC4-(dimethylamino)but-2-enamide
SMILESCN(C)CC=CC(N)=O
InChIInChI=1S/C6H12N2O/c1-8(2)5-3-4-6(7)9/h3-4H,5H2,1-2H3,(H2,7,9)
InChIKeyYLUGQOCWOPDIMD-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.41
Rot. Bonds3

About 4-(dimethylamino)but-2-enamide

4-(dimethylamino)but-2-enamide (PubChem CID 54514979) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-(dimethylamino)but-2-enamide.

Molecular Properties

Compound Name4-(dimethylamino)but-2-enamide
PubChem CID54514979
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-(dimethylamino)but-2-enamide
SMILESCN(C)CC=CC(N)=O
InChIInChI=1S/C6H12N2O/c1-8(2)5-3-4-6(7)9/h3-4H,5H2,1-2H3,(H2,7,9)
InChIKeyYLUGQOCWOPDIMD-UHFFFAOYSA-N
XLogP-0.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)but-2-enamide?
The IUPAC name of 4-(dimethylamino)but-2-enamide (CID 54514979) is 4-(dimethylamino)but-2-enamide.
What is the SMILES notation for 4-(dimethylamino)but-2-enamide?
The canonical SMILES for 4-(dimethylamino)but-2-enamide is CN(C)CC=CC(N)=O.
What is the InChIKey of 4-(dimethylamino)but-2-enamide?
The InChIKey is YLUGQOCWOPDIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8(2)5-3-4-6(7)9/h3-4H,5H2,1-2H3,(H2,7,9).
What are the key properties of 4-(dimethylamino)but-2-enamide?
4-(dimethylamino)but-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.41, 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 is sourced from PubChem (CID 54514979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).