acetic acid;acetonitrile;formaldehyde

C5H9NO3 — CID 174459344

IUPACacetic acid;acetonitrile;formaldehyde
SMILESC=O.CC#N.CC(=O)O
InChIInChI=1S/C2H3N.C2H4O2.CH2O/c1-2-3;1-2(3)4;1-2/h1H3;1H3,(H,3,4);1H2
InChIKeyIMKNLLKQIYKTKL-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.44
Rot. Bonds

About acetic acid;acetonitrile;formaldehyde

acetic acid;acetonitrile;formaldehyde (PubChem CID 174459344) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is acetic acid;acetonitrile;formaldehyde.

Molecular Properties

Compound Nameacetic acid;acetonitrile;formaldehyde
PubChem CID174459344
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameacetic acid;acetonitrile;formaldehyde
SMILESC=O.CC#N.CC(=O)O
InChIInChI=1S/C2H3N.C2H4O2.CH2O/c1-2-3;1-2(3)4;1-2/h1H3;1H3,(H,3,4);1H2
InChIKeyIMKNLLKQIYKTKL-UHFFFAOYSA-N
XLogP0.44
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze acetic acid;acetonitrile;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;pentakis(acetonitrile)
CID 173433569
acetic acid;formaldehyde;hydrate
CID 19350045
bis(acetonitrile);bis(propan-2-one)
CID 163880321
acetic acid;decahydrate
CID 163997764
acetic acid;carbonocyanidic acid;hydrate
CID 173278847
acetic acid;carbonocyanidic acid
CID 87059640
acetonitrile;azane;carbonic acid;methanol
CID 174612682
acetic acid;prop-2-enenitrile
CID 87100572
acetonitrile;acetyl bromide;benzene
CID 162000268
calcium;acetic acid;formaldehyde;hydride
CID 173277282
acetic acid;acetonitrile;N,N-diethylethanamine;methanol
CID 159632516
acetonitrile;nickel(2+);diacetate
CID 161496135

Frequently Asked Questions

What is the IUPAC name of acetic acid;acetonitrile;formaldehyde?
The IUPAC name of acetic acid;acetonitrile;formaldehyde (CID 174459344) is acetic acid;acetonitrile;formaldehyde.
What is the SMILES notation for acetic acid;acetonitrile;formaldehyde?
The canonical SMILES for acetic acid;acetonitrile;formaldehyde is C=O.CC#N.CC(=O)O.
What is the InChIKey of acetic acid;acetonitrile;formaldehyde?
The InChIKey is IMKNLLKQIYKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.C2H4O2.CH2O/c1-2-3;1-2(3)4;1-2/h1H3;1H3,(H,3,4);1H2.
What are the key properties of acetic acid;acetonitrile;formaldehyde?
acetic acid;acetonitrile;formaldehyde has a molecular weight of 131.13 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetonitrile;formaldehyde is sourced from PubChem (CID 174459344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).