(E)-N-ethyl-N-(2-oxoethyl)but-2-enamide

C8H13NO2 — CID 87087330

IUPAC(E)-N-ethyl-N-(2-oxoethyl)but-2-enamide
SMILESC/C=C/C(=O)N(CC)CC=O
InChIInChI=1S/C8H13NO2/c1-3-5-8(11)9(4-2)6-7-10/h3,5,7H,4,6H2,1-2H3/b5-3+
InChIKeyYTPVBRUSELMMGA-HWKANZROSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds4

About (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide

(E)-N-ethyl-N-(2-oxoethyl)but-2-enamide (PubChem CID 87087330) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-(2-oxoethyl)but-2-enamide
PubChem CID87087330
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-N-ethyl-N-(2-oxoethyl)but-2-enamide
SMILESC/C=C/C(=O)N(CC)CC=O
InChIInChI=1S/C8H13NO2/c1-3-5-8(11)9(4-2)6-7-10/h3,5,7H,4,6H2,1-2H3/b5-3+
InChIKeyYTPVBRUSELMMGA-HWKANZROSA-N
XLogP0.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.61
H-Bond Donors ≤ 50
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 (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide?
The IUPAC name of (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide (CID 87087330) is (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide is C/C=C/C(=O)N(CC)CC=O.
What is the InChIKey of (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide?
The InChIKey is YTPVBRUSELMMGA-HWKANZROSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-8(11)9(4-2)6-7-10/h3,5,7H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide?
(E)-N-ethyl-N-(2-oxoethyl)but-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(2-oxoethyl)but-2-enamide is sourced from PubChem (CID 87087330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).