N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide

C8H14N2O2 — CID 5363162

IUPACN-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide
SMILESCC(=O)N/C=C(/C(C)=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-6(11)8(10(3)4)5-9-7(2)12/h5H,1-4H3,(H,9,12)/b8-5-
InChIKeyKANOTDIFTOFKPO-YVMONPNESA-N
MW170.21 g/mol
LogP0.11
Rot. Bonds3

About N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide

N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide (PubChem CID 5363162) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide
PubChem CID5363162
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide
SMILESCC(=O)N/C=C(/C(C)=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-6(11)8(10(3)4)5-9-7(2)12/h5H,1-4H3,(H,9,12)/b8-5-
InChIKeyKANOTDIFTOFKPO-YVMONPNESA-N
XLogP0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide?
The IUPAC name of N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide (CID 5363162) is N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide is CC(=O)N/C=C(/C(C)=O)N(C)C.
What is the InChIKey of N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide?
The InChIKey is KANOTDIFTOFKPO-YVMONPNESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(11)8(10(3)4)5-9-7(2)12/h5H,1-4H3,(H,9,12)/b8-5-.
What are the key properties of N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide?
N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide has a molecular weight of 170.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(dimethylamino)-3-oxobut-1-enyl]acetamide is sourced from PubChem (CID 5363162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).