formonitrile;2-(trimethylazaniumyl)acetate

C6H12N2O2 — CID 173415938

IUPACformonitrile;2-(trimethylazaniumyl)acetate
SMILESC#N.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C5H11NO2.CHN/c1-6(2,3)4-5(7)8;1-2/h4H2,1-3H3;1H
InChIKeyGCSJYJHZCDRRIJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.42
Rot. Bonds2

About formonitrile;2-(trimethylazaniumyl)acetate

formonitrile;2-(trimethylazaniumyl)acetate (PubChem CID 173415938) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is formonitrile;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Nameformonitrile;2-(trimethylazaniumyl)acetate
PubChem CID173415938
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameformonitrile;2-(trimethylazaniumyl)acetate
SMILESC#N.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C5H11NO2.CHN/c1-6(2,3)4-5(7)8;1-2/h4H2,1-3H3;1H
InChIKeyGCSJYJHZCDRRIJ-UHFFFAOYSA-N
XLogP-1.42
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formonitrile;2-(trimethylazaniumyl)acetate?
The IUPAC name of formonitrile;2-(trimethylazaniumyl)acetate (CID 173415938) is formonitrile;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for formonitrile;2-(trimethylazaniumyl)acetate?
The canonical SMILES for formonitrile;2-(trimethylazaniumyl)acetate is C#N.C[N+](C)(C)CC(=O)[O-].
What is the InChIKey of formonitrile;2-(trimethylazaniumyl)acetate?
The InChIKey is GCSJYJHZCDRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.CHN/c1-6(2,3)4-5(7)8;1-2/h4H2,1-3H3;1H.
What are the key properties of formonitrile;2-(trimethylazaniumyl)acetate?
formonitrile;2-(trimethylazaniumyl)acetate has a molecular weight of 144.17 g/mol, XLogP of -1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 173415938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).