(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide

C7H9NO3 — CID 145121813

IUPAC(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide
SMILESCN(CC=O)C(=O)/C=C\C=O
InChIInChI=1S/C7H9NO3/c1-8(4-6-10)7(11)3-2-5-9/h2-3,5-6H,4H2,1H3/b3-2-
InChIKeyKTEDIDIEADFUSK-IHWYPQMZSA-N
MW155.15 g/mol
LogP-0.60
Rot. Bonds4

About (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide

(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide (PubChem CID 145121813) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide
PubChem CID145121813
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide
SMILESCN(CC=O)C(=O)/C=C\C=O
InChIInChI=1S/C7H9NO3/c1-8(4-6-10)7(11)3-2-5-9/h2-3,5-6H,4H2,1H3/b3-2-
InChIKeyKTEDIDIEADFUSK-IHWYPQMZSA-N
XLogP-0.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide?
The IUPAC name of (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide (CID 145121813) is (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide.
What is the SMILES notation for (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide?
The canonical SMILES for (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide is CN(CC=O)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide?
The InChIKey is KTEDIDIEADFUSK-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H9NO3/c1-8(4-6-10)7(11)3-2-5-9/h2-3,5-6H,4H2,1H3/b3-2-.
What are the key properties of (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide?
(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide has a molecular weight of 155.15 g/mol, XLogP of -0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide is sourced from PubChem (CID 145121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).