3-oxo-N-(3-oxopropyl)propanamide

C6H9NO3 — CID 166792274

IUPAC3-oxo-N-(3-oxopropyl)propanamide
SMILESO=CCCNC(=O)CC=O
InChIInChI=1S/C6H9NO3/c8-4-1-3-7-6(10)2-5-9/h4-5H,1-3H2,(H,7,10)
InChIKeyAGHSKYSUINTQCL-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.72
Rot. Bonds5

About 3-oxo-N-(3-oxopropyl)propanamide

3-oxo-N-(3-oxopropyl)propanamide (PubChem CID 166792274) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-oxo-N-(3-oxopropyl)propanamide.

Molecular Properties

Compound Name3-oxo-N-(3-oxopropyl)propanamide
PubChem CID166792274
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-oxo-N-(3-oxopropyl)propanamide
SMILESO=CCCNC(=O)CC=O
InChIInChI=1S/C6H9NO3/c8-4-1-3-7-6(10)2-5-9/h4-5H,1-3H2,(H,7,10)
InChIKeyAGHSKYSUINTQCL-UHFFFAOYSA-N
XLogP-0.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-N-(3-oxopropyl)propanamide 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 3-oxo-N-(3-oxopropyl)propanamide?
The IUPAC name of 3-oxo-N-(3-oxopropyl)propanamide (CID 166792274) is 3-oxo-N-(3-oxopropyl)propanamide.
What is the SMILES notation for 3-oxo-N-(3-oxopropyl)propanamide?
The canonical SMILES for 3-oxo-N-(3-oxopropyl)propanamide is O=CCCNC(=O)CC=O.
What is the InChIKey of 3-oxo-N-(3-oxopropyl)propanamide?
The InChIKey is AGHSKYSUINTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-1-3-7-6(10)2-5-9/h4-5H,1-3H2,(H,7,10).
What are the key properties of 3-oxo-N-(3-oxopropyl)propanamide?
3-oxo-N-(3-oxopropyl)propanamide has a molecular weight of 143.14 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(3-oxopropyl)propanamide is sourced from PubChem (CID 166792274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).