azanium;1-methylpyrrolidine;acetate

C7H18N2O2 — CID 69436437

IUPACazanium;1-methylpyrrolidine;acetate
SMILESCC(=O)[O-].CN1CCCC1.[NH4+]
InChIInChI=1S/C5H11N.C2H4O2.H3N/c1-6-4-2-3-5-6;1-2(3)4;/h2-5H2,1H3;1H3,(H,3,4);1H3
InChIKeyJZTFUIXDQGXJFV-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.16
Rot. Bonds

About azanium;1-methylpyrrolidine;acetate

azanium;1-methylpyrrolidine;acetate (PubChem CID 69436437) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is azanium;1-methylpyrrolidine;acetate.

Molecular Properties

Compound Nameazanium;1-methylpyrrolidine;acetate
PubChem CID69436437
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Nameazanium;1-methylpyrrolidine;acetate
SMILESCC(=O)[O-].CN1CCCC1.[NH4+]
InChIInChI=1S/C5H11N.C2H4O2.H3N/c1-6-4-2-3-5-6;1-2(3)4;/h2-5H2,1H3;1H3,(H,3,4);1H3
InChIKeyJZTFUIXDQGXJFV-UHFFFAOYSA-N
XLogP-0.16
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium;1-methylpyrrolidine;acetate?
The IUPAC name of azanium;1-methylpyrrolidine;acetate (CID 69436437) is azanium;1-methylpyrrolidine;acetate.
What is the SMILES notation for azanium;1-methylpyrrolidine;acetate?
The canonical SMILES for azanium;1-methylpyrrolidine;acetate is CC(=O)[O-].CN1CCCC1.[NH4+].
What is the InChIKey of azanium;1-methylpyrrolidine;acetate?
The InChIKey is JZTFUIXDQGXJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H4O2.H3N/c1-6-4-2-3-5-6;1-2(3)4;/h2-5H2,1H3;1H3,(H,3,4);1H3.
What are the key properties of azanium;1-methylpyrrolidine;acetate?
azanium;1-methylpyrrolidine;acetate has a molecular weight of 162.23 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;1-methylpyrrolidine;acetate is sourced from PubChem (CID 69436437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).