(Z)-N-ethyl-4-oxobut-2-enamide

C6H9NO2 — CID 88914220

IUPAC(Z)-N-ethyl-4-oxobut-2-enamide
SMILESCCNC(=O)/C=C\C=O
InChIInChI=1S/C6H9NO2/c1-2-7-6(9)4-3-5-8/h3-5H,2H2,1H3,(H,7,9)/b4-3-
InChIKeyBSDOFXZPFNDFLI-ARJAWSKDSA-N
MW127.14 g/mol
LogP-0.12
Rot. Bonds3

About (Z)-N-ethyl-4-oxobut-2-enamide

(Z)-N-ethyl-4-oxobut-2-enamide (PubChem CID 88914220) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (Z)-N-ethyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-4-oxobut-2-enamide
PubChem CID88914220
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(Z)-N-ethyl-4-oxobut-2-enamide
SMILESCCNC(=O)/C=C\C=O
InChIInChI=1S/C6H9NO2/c1-2-7-6(9)4-3-5-8/h3-5H,2H2,1H3,(H,7,9)/b4-3-
InChIKeyBSDOFXZPFNDFLI-ARJAWSKDSA-N
XLogP-0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-ethyl-4-oxobut-2-enamide (CID 88914220) is (Z)-N-ethyl-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-ethyl-4-oxobut-2-enamide is CCNC(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-ethyl-4-oxobut-2-enamide?
The InChIKey is BSDOFXZPFNDFLI-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-7-6(9)4-3-5-8/h3-5H,2H2,1H3,(H,7,9)/b4-3-.
What are the key properties of (Z)-N-ethyl-4-oxobut-2-enamide?
(Z)-N-ethyl-4-oxobut-2-enamide has a molecular weight of 127.14 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-oxobut-2-enamide is sourced from PubChem (CID 88914220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).