N-(2-oxohex-5-enyl)acetamide

C8H13NO2 — CID 533893

IUPACN-(2-oxohex-5-enyl)acetamide
SMILESC=CCCC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO2/c1-3-4-5-8(11)6-9-7(2)10/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyXRIPGWXOKLPQGW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds5

About N-(2-oxohex-5-enyl)acetamide

N-(2-oxohex-5-enyl)acetamide (PubChem CID 533893) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-oxohex-5-enyl)acetamide.

Molecular Properties

Compound NameN-(2-oxohex-5-enyl)acetamide
PubChem CID533893
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(2-oxohex-5-enyl)acetamide
SMILESC=CCCC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO2/c1-3-4-5-8(11)6-9-7(2)10/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyXRIPGWXOKLPQGW-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-oxohex-5-enyl)acetamide 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-(2-oxohex-5-enyl)acetamide?
The IUPAC name of N-(2-oxohex-5-enyl)acetamide (CID 533893) is N-(2-oxohex-5-enyl)acetamide.
What is the SMILES notation for N-(2-oxohex-5-enyl)acetamide?
The canonical SMILES for N-(2-oxohex-5-enyl)acetamide is C=CCCC(=O)CNC(C)=O.
What is the InChIKey of N-(2-oxohex-5-enyl)acetamide?
The InChIKey is XRIPGWXOKLPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-5-8(11)6-9-7(2)10/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of N-(2-oxohex-5-enyl)acetamide?
N-(2-oxohex-5-enyl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxohex-5-enyl)acetamide is sourced from PubChem (CID 533893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).