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

C6H11NO — CID 13434395

IUPACN-[(E)-but-2-enyl]acetamide
SMILESC/C=C/CNC(C)=O
InChIInChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h3-4H,5H2,1-2H3,(H,7,8)/b4-3+
InChIKeyNRNINBJEUSDBSL-ONEGZZNKSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

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

N-[(E)-but-2-enyl]acetamide (PubChem CID 13434395) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]acetamide
PubChem CID13434395
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-[(E)-but-2-enyl]acetamide
SMILESC/C=C/CNC(C)=O
InChIInChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h3-4H,5H2,1-2H3,(H,7,8)/b4-3+
InChIKeyNRNINBJEUSDBSL-ONEGZZNKSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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]acetamide?
The IUPAC name of N-[(E)-but-2-enyl]acetamide (CID 13434395) is N-[(E)-but-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]acetamide?
The canonical SMILES for N-[(E)-but-2-enyl]acetamide is C/C=C/CNC(C)=O.
What is the InChIKey of N-[(E)-but-2-enyl]acetamide?
The InChIKey is NRNINBJEUSDBSL-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h3-4H,5H2,1-2H3,(H,7,8)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]acetamide?
N-[(E)-but-2-enyl]acetamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]acetamide is sourced from PubChem (CID 13434395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).