N-but-2-enyl-N-(2-oxoethyl)acetamide

C8H13NO2 — CID 54397829

IUPACN-but-2-enyl-N-(2-oxoethyl)acetamide
SMILESCC=CCN(CC=O)C(C)=O
InChIInChI=1S/C8H13NO2/c1-3-4-5-9(6-7-10)8(2)11/h3-4,7H,5-6H2,1-2H3
InChIKeyVLGVNRUPRMUDOJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds4

About N-but-2-enyl-N-(2-oxoethyl)acetamide

N-but-2-enyl-N-(2-oxoethyl)acetamide (PubChem CID 54397829) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-but-2-enyl-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-but-2-enyl-N-(2-oxoethyl)acetamide
PubChem CID54397829
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-but-2-enyl-N-(2-oxoethyl)acetamide
SMILESCC=CCN(CC=O)C(C)=O
InChIInChI=1S/C8H13NO2/c1-3-4-5-9(6-7-10)8(2)11/h3-4,7H,5-6H2,1-2H3
InChIKeyVLGVNRUPRMUDOJ-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-(2-oxoethyl)acetamide?
The IUPAC name of N-but-2-enyl-N-(2-oxoethyl)acetamide (CID 54397829) is N-but-2-enyl-N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-but-2-enyl-N-(2-oxoethyl)acetamide?
The canonical SMILES for N-but-2-enyl-N-(2-oxoethyl)acetamide is CC=CCN(CC=O)C(C)=O.
What is the InChIKey of N-but-2-enyl-N-(2-oxoethyl)acetamide?
The InChIKey is VLGVNRUPRMUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-5-9(6-7-10)8(2)11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-but-2-enyl-N-(2-oxoethyl)acetamide?
N-but-2-enyl-N-(2-oxoethyl)acetamide 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 N-but-2-enyl-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 54397829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).