N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide

C8H13NO2 — CID 19738520

IUPACN-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide
SMILESC/C=C/CN(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/b4-3+
InChIKeyVLGVNRUPRMUDOJ-ONEGZZNKSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds4

About N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide

N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide (PubChem CID 19738520) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide
PubChem CID19738520
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide
SMILESC/C=C/CN(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/b4-3+
InChIKeyVLGVNRUPRMUDOJ-ONEGZZNKSA-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-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide?
The IUPAC name of N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide (CID 19738520) is N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide is C/C=C/CN(CC=O)C(C)=O.
What is the InChIKey of N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide?
The InChIKey is VLGVNRUPRMUDOJ-ONEGZZNKSA-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/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide?
N-[(E)-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-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 19738520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).