acetonitrile;azane;ethanol

C4H12N2O — CID 87739333

IUPACacetonitrile;azane;ethanol
SMILESCC#N.CCO.N
InChIInChI=1S/C2H3N.C2H6O.H3N/c2*1-2-3;/h1H3;3H,2H2,1H3;1H3
InChIKeyAFOOWMFMYNUNKK-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.69
Rot. Bonds

About acetonitrile;azane;ethanol

acetonitrile;azane;ethanol (PubChem CID 87739333) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is acetonitrile;azane;ethanol.

Molecular Properties

Compound Nameacetonitrile;azane;ethanol
PubChem CID87739333
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Nameacetonitrile;azane;ethanol
SMILESCC#N.CCO.N
InChIInChI=1S/C2H3N.C2H6O.H3N/c2*1-2-3;/h1H3;3H,2H2,1H3;1H3
InChIKeyAFOOWMFMYNUNKK-UHFFFAOYSA-N
XLogP0.69
TPSA79.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;azane;ethanol?
The IUPAC name of acetonitrile;azane;ethanol (CID 87739333) is acetonitrile;azane;ethanol.
What is the SMILES notation for acetonitrile;azane;ethanol?
The canonical SMILES for acetonitrile;azane;ethanol is CC#N.CCO.N.
What is the InChIKey of acetonitrile;azane;ethanol?
The InChIKey is AFOOWMFMYNUNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.C2H6O.H3N/c2*1-2-3;/h1H3;3H,2H2,1H3;1H3.
What are the key properties of acetonitrile;azane;ethanol?
acetonitrile;azane;ethanol has a molecular weight of 104.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;azane;ethanol is sourced from PubChem (CID 87739333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).