N-but-2-enylacetamide

C6H11NO — CID 54126793

IUPACN-but-2-enylacetamide
SMILESCC=CCNC(C)=O
InChIInChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h3-4H,5H2,1-2H3,(H,7,8)
InChIKeyNRNINBJEUSDBSL-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

About N-but-2-enylacetamide

N-but-2-enylacetamide (PubChem CID 54126793) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-but-2-enylacetamide.

Molecular Properties

Compound NameN-but-2-enylacetamide
PubChem CID54126793
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-but-2-enylacetamide
SMILESCC=CCNC(C)=O
InChIInChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h3-4H,5H2,1-2H3,(H,7,8)
InChIKeyNRNINBJEUSDBSL-UHFFFAOYSA-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'}

Analyze N-but-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-but-2-enylacetamide?
The IUPAC name of N-but-2-enylacetamide (CID 54126793) is N-but-2-enylacetamide.
What is the SMILES notation for N-but-2-enylacetamide?
The canonical SMILES for N-but-2-enylacetamide is CC=CCNC(C)=O.
What is the InChIKey of N-but-2-enylacetamide?
The InChIKey is NRNINBJEUSDBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h3-4H,5H2,1-2H3,(H,7,8).
What are the key properties of N-but-2-enylacetamide?
N-but-2-enylacetamide 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-but-2-enylacetamide is sourced from PubChem (CID 54126793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).