3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride

C7H12FN — CID 171616027

IUPAC3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride
SMILESCCC1=C[NH+](C)C=C1.[F-]
InChIInChI=1S/C7H11N.FH/c1-3-7-4-5-8(2)6-7;/h4-6H,3H2,1-2H3;1H
InChIKeyKUXGBHMJNGPESB-UHFFFAOYSA-N
MW129.18 g/mol
LogP-2.67
Rot. Bonds1

About 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride

3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride (PubChem CID 171616027) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride.

Molecular Properties

Compound Name3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride
PubChem CID171616027
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride
SMILESCCC1=C[NH+](C)C=C1.[F-]
InChIInChI=1S/C7H11N.FH/c1-3-7-4-5-8(2)6-7;/h4-6H,3H2,1-2H3;1H
InChIKeyKUXGBHMJNGPESB-UHFFFAOYSA-N
XLogP-2.67
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride?
The IUPAC name of 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride (CID 171616027) is 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride.
What is the SMILES notation for 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride?
The canonical SMILES for 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride is CCC1=C[NH+](C)C=C1.[F-].
What is the InChIKey of 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride?
The InChIKey is KUXGBHMJNGPESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.FH/c1-3-7-4-5-8(2)6-7;/h4-6H,3H2,1-2H3;1H.
What are the key properties of 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride?
3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride has a molecular weight of 129.18 g/mol, XLogP of -2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride is sourced from PubChem (CID 171616027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).