N-(1,3-dioxopropan-2-yl)acetamide

C5H7NO3 — CID 12870105

IUPACN-(1,3-dioxopropan-2-yl)acetamide
SMILESCC(=O)NC(C=O)C=O
InChIInChI=1S/C5H7NO3/c1-4(9)6-5(2-7)3-8/h2-3,5H,1H3,(H,6,9)
InChIKeyLMTXYMZYNDHXAA-UHFFFAOYSA-N
MW129.11 g/mol
LogP-1.11
Rot. Bonds3

About N-(1,3-dioxopropan-2-yl)acetamide

N-(1,3-dioxopropan-2-yl)acetamide (PubChem CID 12870105) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is N-(1,3-dioxopropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxopropan-2-yl)acetamide
PubChem CID12870105
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC NameN-(1,3-dioxopropan-2-yl)acetamide
SMILESCC(=O)NC(C=O)C=O
InChIInChI=1S/C5H7NO3/c1-4(9)6-5(2-7)3-8/h2-3,5H,1H3,(H,6,9)
InChIKeyLMTXYMZYNDHXAA-UHFFFAOYSA-N
XLogP-1.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxopropan-2-yl)acetamide?
The IUPAC name of N-(1,3-dioxopropan-2-yl)acetamide (CID 12870105) is N-(1,3-dioxopropan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxopropan-2-yl)acetamide?
The canonical SMILES for N-(1,3-dioxopropan-2-yl)acetamide is CC(=O)NC(C=O)C=O.
What is the InChIKey of N-(1,3-dioxopropan-2-yl)acetamide?
The InChIKey is LMTXYMZYNDHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(9)6-5(2-7)3-8/h2-3,5H,1H3,(H,6,9).
What are the key properties of N-(1,3-dioxopropan-2-yl)acetamide?
N-(1,3-dioxopropan-2-yl)acetamide has a molecular weight of 129.11 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxopropan-2-yl)acetamide is sourced from PubChem (CID 12870105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).