1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate

C9H20BF4N — CID 44717198

IUPAC1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCCCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H20N.BF4/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKeyPGCVCJOPLBWQHU-UHFFFAOYSA-N
MW229.07 g/mol
LogP3.33
Rot. Bonds3

About 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate

1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 44717198) has the molecular formula C9H20BF4N and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate
PubChem CID44717198
Molecular FormulaC9H20BF4N
Molecular Weight229.07 g/mol
Exact Mass229.16
IUPAC Name1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCCCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H20N.BF4/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKeyPGCVCJOPLBWQHU-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate
CID 18374068
Tetrapropylammonium tetrafluoroborate
CID 9558
1-Butyl-1-methylpyrrolidinium Hexafluorophosphate
CID 53316409
1,1-Dimethylpyrrolidinium tetrafluoroborate
CID 12469151
1-Methyl-1-propylpyrrolidinium tetrafluoroborate
CID 23117222
1-Methyl-1-propylpyrrolidinium hexafluorophosphate
CID 60196395
5-Azoniaspiro(4.4)nonane, tetrafluoroborate(1-) (1:1)
CID 17822897
N-methyl-N-butylpyrrolidinium-pentafluoroethyltrifluoroborate
CID 12157906
Tributylmethylammonium tetrafluoroborate
CID 11449059
Butyltriethylammonium tetrafluoroborate
CID 20268962
n-Methoxymethyl-n-methylpyrrolidinium tetrafluoroborate
CID 87282217
1-Methyl-1-pentylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157907

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate (CID 44717198) is 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate is CCCC[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is PGCVCJOPLBWQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.BF4/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1.
What are the key properties of 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 229.07 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 44717198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).