N-acetyl-N-but-2-en-2-ylacetamide

C8H13NO2 — CID 54446052

IUPACN-acetyl-N-but-2-en-2-ylacetamide
SMILESCC=C(C)N(C(C)=O)C(C)=O
InChIInChI=1S/C8H13NO2/c1-5-6(2)9(7(3)10)8(4)11/h5H,1-4H3
InChIKeyWRPCNVRHTHLZRM-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.31
Rot. Bonds1

About N-acetyl-N-but-2-en-2-ylacetamide

N-acetyl-N-but-2-en-2-ylacetamide (PubChem CID 54446052) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-acetyl-N-but-2-en-2-ylacetamide.

Molecular Properties

Compound NameN-acetyl-N-but-2-en-2-ylacetamide
PubChem CID54446052
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-acetyl-N-but-2-en-2-ylacetamide
SMILESCC=C(C)N(C(C)=O)C(C)=O
InChIInChI=1S/C8H13NO2/c1-5-6(2)9(7(3)10)8(4)11/h5H,1-4H3
InChIKeyWRPCNVRHTHLZRM-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-but-2-en-2-ylacetamide?
The IUPAC name of N-acetyl-N-but-2-en-2-ylacetamide (CID 54446052) is N-acetyl-N-but-2-en-2-ylacetamide.
What is the SMILES notation for N-acetyl-N-but-2-en-2-ylacetamide?
The canonical SMILES for N-acetyl-N-but-2-en-2-ylacetamide is CC=C(C)N(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-but-2-en-2-ylacetamide?
The InChIKey is WRPCNVRHTHLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6(2)9(7(3)10)8(4)11/h5H,1-4H3.
What are the key properties of N-acetyl-N-but-2-en-2-ylacetamide?
N-acetyl-N-but-2-en-2-ylacetamide has a molecular weight of 155.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-but-2-en-2-ylacetamide is sourced from PubChem (CID 54446052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).