2-acetamido-N-(3-oxopropyl)pent-4-enamide

C10H16N2O3 — CID 134385995

IUPAC2-acetamido-N-(3-oxopropyl)pent-4-enamide
SMILESC=CCC(NC(C)=O)C(=O)NCCC=O
InChIInChI=1S/C10H16N2O3/c1-3-5-9(12-8(2)14)10(15)11-6-4-7-13/h3,7,9H,1,4-6H2,2H3,(H,11,15)(H,12,14)
InChIKeyDFRZSQMIZOYFSU-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds7

About 2-acetamido-N-(3-oxopropyl)pent-4-enamide

2-acetamido-N-(3-oxopropyl)pent-4-enamide (PubChem CID 134385995) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-acetamido-N-(3-oxopropyl)pent-4-enamide.

Molecular Properties

Compound Name2-acetamido-N-(3-oxopropyl)pent-4-enamide
PubChem CID134385995
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-acetamido-N-(3-oxopropyl)pent-4-enamide
SMILESC=CCC(NC(C)=O)C(=O)NCCC=O
InChIInChI=1S/C10H16N2O3/c1-3-5-9(12-8(2)14)10(15)11-6-4-7-13/h3,7,9H,1,4-6H2,2H3,(H,11,15)(H,12,14)
InChIKeyDFRZSQMIZOYFSU-UHFFFAOYSA-N
XLogP-0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-(3-oxopropyl)pent-4-enamide 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 2-acetamido-N-(3-oxopropyl)pent-4-enamide?
The IUPAC name of 2-acetamido-N-(3-oxopropyl)pent-4-enamide (CID 134385995) is 2-acetamido-N-(3-oxopropyl)pent-4-enamide.
What is the SMILES notation for 2-acetamido-N-(3-oxopropyl)pent-4-enamide?
The canonical SMILES for 2-acetamido-N-(3-oxopropyl)pent-4-enamide is C=CCC(NC(C)=O)C(=O)NCCC=O.
What is the InChIKey of 2-acetamido-N-(3-oxopropyl)pent-4-enamide?
The InChIKey is DFRZSQMIZOYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-9(12-8(2)14)10(15)11-6-4-7-13/h3,7,9H,1,4-6H2,2H3,(H,11,15)(H,12,14).
What are the key properties of 2-acetamido-N-(3-oxopropyl)pent-4-enamide?
2-acetamido-N-(3-oxopropyl)pent-4-enamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-oxopropyl)pent-4-enamide is sourced from PubChem (CID 134385995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).