N-acetylacetamide;azane

C4H10N2O2 — CID 175013132

IUPACN-acetylacetamide;azane
SMILESCC(=O)NC(C)=O.N
InChIInChI=1S/C4H7NO2.H3N/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);1H3
InChIKeyQVQPADQDDGSUFJ-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.17
Rot. Bonds

About N-acetylacetamide;azane

N-acetylacetamide;azane (PubChem CID 175013132) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N-acetylacetamide;azane.

Molecular Properties

Compound NameN-acetylacetamide;azane
PubChem CID175013132
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN-acetylacetamide;azane
SMILESCC(=O)NC(C)=O.N
InChIInChI=1S/C4H7NO2.H3N/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);1H3
InChIKeyQVQPADQDDGSUFJ-UHFFFAOYSA-N
XLogP-0.17
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetylacetamide;azane?
The IUPAC name of N-acetylacetamide;azane (CID 175013132) is N-acetylacetamide;azane.
What is the SMILES notation for N-acetylacetamide;azane?
The canonical SMILES for N-acetylacetamide;azane is CC(=O)NC(C)=O.N.
What is the InChIKey of N-acetylacetamide;azane?
The InChIKey is QVQPADQDDGSUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.H3N/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);1H3.
What are the key properties of N-acetylacetamide;azane?
N-acetylacetamide;azane has a molecular weight of 118.14 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylacetamide;azane is sourced from PubChem (CID 175013132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).