N-acetylacetamide

C4H7NO2 — CID 12263

IUPACN-acetylacetamide
SMILESCC(=O)NC(C)=O
InChIInChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)
InChIKeyZSBDPRIWBYHIAF-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.33
Rot. Bonds

About N-acetylacetamide

N-acetylacetamide (PubChem CID 12263) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-acetylacetamide.

Molecular Properties

Compound NameN-acetylacetamide
PubChem CID12263
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-acetylacetamide
SMILESCC(=O)NC(C)=O
InChIInChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)
InChIKeyZSBDPRIWBYHIAF-UHFFFAOYSA-N
XLogP-0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetylacetamide?
The IUPAC name of N-acetylacetamide (CID 12263) is N-acetylacetamide.
What is the SMILES notation for N-acetylacetamide?
The canonical SMILES for N-acetylacetamide is CC(=O)NC(C)=O.
What is the InChIKey of N-acetylacetamide?
The InChIKey is ZSBDPRIWBYHIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7).
What are the key properties of N-acetylacetamide?
N-acetylacetamide has a molecular weight of 101.10 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylacetamide is sourced from PubChem (CID 12263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).