N-(3-methyl-2,4-dioxopentyl)propanamide

C9H15NO3 — CID 20660440

IUPACN-(3-methyl-2,4-dioxopentyl)propanamide
SMILESCCC(=O)NCC(=O)C(C)C(C)=O
InChIInChI=1S/C9H15NO3/c1-4-9(13)10-5-8(12)6(2)7(3)11/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyAIPSMGZPVIOWGN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.31
Rot. Bonds5

About N-(3-methyl-2,4-dioxopentyl)propanamide

N-(3-methyl-2,4-dioxopentyl)propanamide (PubChem CID 20660440) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(3-methyl-2,4-dioxopentyl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-2,4-dioxopentyl)propanamide
PubChem CID20660440
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(3-methyl-2,4-dioxopentyl)propanamide
SMILESCCC(=O)NCC(=O)C(C)C(C)=O
InChIInChI=1S/C9H15NO3/c1-4-9(13)10-5-8(12)6(2)7(3)11/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyAIPSMGZPVIOWGN-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(3-methyl-2,4-dioxopentyl)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 N-(3-methyl-2,4-dioxopentyl)propanamide?
The IUPAC name of N-(3-methyl-2,4-dioxopentyl)propanamide (CID 20660440) is N-(3-methyl-2,4-dioxopentyl)propanamide.
What is the SMILES notation for N-(3-methyl-2,4-dioxopentyl)propanamide?
The canonical SMILES for N-(3-methyl-2,4-dioxopentyl)propanamide is CCC(=O)NCC(=O)C(C)C(C)=O.
What is the InChIKey of N-(3-methyl-2,4-dioxopentyl)propanamide?
The InChIKey is AIPSMGZPVIOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-9(13)10-5-8(12)6(2)7(3)11/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(3-methyl-2,4-dioxopentyl)propanamide?
N-(3-methyl-2,4-dioxopentyl)propanamide has a molecular weight of 185.22 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2,4-dioxopentyl)propanamide is sourced from PubChem (CID 20660440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).