N-acetylacetamide;ethane

C6H13NO2 — CID 142136912

IUPACN-acetylacetamide;ethane
SMILESCC.CC(=O)NC(C)=O
InChIInChI=1S/C4H7NO2.C2H6/c1-3(6)5-4(2)7;1-2/h1-2H3,(H,5,6,7);1-2H3
InChIKeyVHLKWMAKSJOVHF-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.70
Rot. Bonds

About N-acetylacetamide;ethane

N-acetylacetamide;ethane (PubChem CID 142136912) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-acetylacetamide;ethane.

Molecular Properties

Compound NameN-acetylacetamide;ethane
PubChem CID142136912
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-acetylacetamide;ethane
SMILESCC.CC(=O)NC(C)=O
InChIInChI=1S/C4H7NO2.C2H6/c1-3(6)5-4(2)7;1-2/h1-2H3,(H,5,6,7);1-2H3
InChIKeyVHLKWMAKSJOVHF-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetylacetamide;ethane?
The IUPAC name of N-acetylacetamide;ethane (CID 142136912) is N-acetylacetamide;ethane.
What is the SMILES notation for N-acetylacetamide;ethane?
The canonical SMILES for N-acetylacetamide;ethane is CC.CC(=O)NC(C)=O.
What is the InChIKey of N-acetylacetamide;ethane?
The InChIKey is VHLKWMAKSJOVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H6/c1-3(6)5-4(2)7;1-2/h1-2H3,(H,5,6,7);1-2H3.
What are the key properties of N-acetylacetamide;ethane?
N-acetylacetamide;ethane has a molecular weight of 131.17 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylacetamide;ethane is sourced from PubChem (CID 142136912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).