acetamide;formic acid

C3H7NO3 — CID 19762194

IUPACacetamide;formic acid
SMILESCC(N)=O.O=CO
InChIInChI=1S/C2H5NO.CH2O2/c1-2(3)4;2-1-3/h1H3,(H2,3,4);1H,(H,2,3)
InChIKeyAAQLWZRNSJGQGC-UHFFFAOYSA-N
MW105.09 g/mol
LogP-0.81
Rot. Bonds

About acetamide;formic acid

acetamide;formic acid (PubChem CID 19762194) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is acetamide;formic acid.

Molecular Properties

Compound Nameacetamide;formic acid
PubChem CID19762194
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Nameacetamide;formic acid
SMILESCC(N)=O.O=CO
InChIInChI=1S/C2H5NO.CH2O2/c1-2(3)4;2-1-3/h1H3,(H2,3,4);1H,(H,2,3)
InChIKeyAAQLWZRNSJGQGC-UHFFFAOYSA-N
XLogP-0.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 11672690

Frequently Asked Questions

What is the IUPAC name of acetamide;formic acid?
The IUPAC name of acetamide;formic acid (CID 19762194) is acetamide;formic acid.
What is the SMILES notation for acetamide;formic acid?
The canonical SMILES for acetamide;formic acid is CC(N)=O.O=CO.
What is the InChIKey of acetamide;formic acid?
The InChIKey is AAQLWZRNSJGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH2O2/c1-2(3)4;2-1-3/h1H3,(H2,3,4);1H,(H,2,3).
What are the key properties of acetamide;formic acid?
acetamide;formic acid has a molecular weight of 105.09 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;formic acid is sourced from PubChem (CID 19762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).