(Z)-2-(dimethylamino)but-2-enamide

C6H12N2O — CID 87246378

IUPAC(Z)-2-(dimethylamino)but-2-enamide
SMILESC/C=C(/C(N)=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-4-5(6(7)9)8(2)3/h4H,1-3H3,(H2,7,9)/b5-4-
InChIKeyGGFWRHHSJHEHFX-PLNGDYQASA-N
MW128.17 g/mol
LogP-0.06
Rot. Bonds2

About (Z)-2-(dimethylamino)but-2-enamide

(Z)-2-(dimethylamino)but-2-enamide (PubChem CID 87246378) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-2-(dimethylamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(dimethylamino)but-2-enamide
PubChem CID87246378
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(Z)-2-(dimethylamino)but-2-enamide
SMILESC/C=C(/C(N)=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-4-5(6(7)9)8(2)3/h4H,1-3H3,(H2,7,9)/b5-4-
InChIKeyGGFWRHHSJHEHFX-PLNGDYQASA-N
XLogP-0.06
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 ≤ 5-0.06
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 (Z)-2-(dimethylamino)but-2-enamide?
The IUPAC name of (Z)-2-(dimethylamino)but-2-enamide (CID 87246378) is (Z)-2-(dimethylamino)but-2-enamide.
What is the SMILES notation for (Z)-2-(dimethylamino)but-2-enamide?
The canonical SMILES for (Z)-2-(dimethylamino)but-2-enamide is C/C=C(/C(N)=O)N(C)C.
What is the InChIKey of (Z)-2-(dimethylamino)but-2-enamide?
The InChIKey is GGFWRHHSJHEHFX-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(6(7)9)8(2)3/h4H,1-3H3,(H2,7,9)/b5-4-.
What are the key properties of (Z)-2-(dimethylamino)but-2-enamide?
(Z)-2-(dimethylamino)but-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(dimethylamino)but-2-enamide is sourced from PubChem (CID 87246378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).