2-acetamidopent-4-enamide

C7H12N2O2 — CID 23273486

IUPAC2-acetamidopent-4-enamide
SMILESC=CCC(NC(C)=O)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-4-6(7(8)11)9-5(2)10/h3,6H,1,4H2,2H3,(H2,8,11)(H,9,10)
InChIKeyJADXHWCPKHSUCP-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.45
Rot. Bonds4

About 2-acetamidopent-4-enamide

2-acetamidopent-4-enamide (PubChem CID 23273486) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-acetamidopent-4-enamide.

Molecular Properties

Compound Name2-acetamidopent-4-enamide
PubChem CID23273486
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-acetamidopent-4-enamide
SMILESC=CCC(NC(C)=O)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-4-6(7(8)11)9-5(2)10/h3,6H,1,4H2,2H3,(H2,8,11)(H,9,10)
InChIKeyJADXHWCPKHSUCP-UHFFFAOYSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-acetamidopent-4-enamide?
The IUPAC name of 2-acetamidopent-4-enamide (CID 23273486) is 2-acetamidopent-4-enamide.
What is the SMILES notation for 2-acetamidopent-4-enamide?
The canonical SMILES for 2-acetamidopent-4-enamide is C=CCC(NC(C)=O)C(N)=O.
What is the InChIKey of 2-acetamidopent-4-enamide?
The InChIKey is JADXHWCPKHSUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-6(7(8)11)9-5(2)10/h3,6H,1,4H2,2H3,(H2,8,11)(H,9,10).
What are the key properties of 2-acetamidopent-4-enamide?
2-acetamidopent-4-enamide has a molecular weight of 156.18 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidopent-4-enamide is sourced from PubChem (CID 23273486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).