1-ethenylpyrrolidin-1-ium

C6H12N+ — CID 22093371

IUPAC1-ethenylpyrrolidin-1-ium
SMILESC=C[NH+]1CCCC1
InChIInChI=1S/C6H11N/c1-2-7-5-3-4-6-7/h2H,1,3-6H2/p+1
InChIKeyUDJZTGMLYITLIQ-UHFFFAOYSA-O
MW98.17 g/mol
LogP-0.19
Rot. Bonds1

About 1-ethenylpyrrolidin-1-ium

1-ethenylpyrrolidin-1-ium (PubChem CID 22093371) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-ethenylpyrrolidin-1-ium
PubChem CID22093371
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Name1-ethenylpyrrolidin-1-ium
SMILESC=C[NH+]1CCCC1
InChIInChI=1S/C6H11N/c1-2-7-5-3-4-6-7/h2H,1,3-6H2/p+1
InChIKeyUDJZTGMLYITLIQ-UHFFFAOYSA-O
XLogP-0.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-1-ium?
The IUPAC name of 1-ethenylpyrrolidin-1-ium (CID 22093371) is 1-ethenylpyrrolidin-1-ium.
What is the SMILES notation for 1-ethenylpyrrolidin-1-ium?
The canonical SMILES for 1-ethenylpyrrolidin-1-ium is C=C[NH+]1CCCC1.
What is the InChIKey of 1-ethenylpyrrolidin-1-ium?
The InChIKey is UDJZTGMLYITLIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N/c1-2-7-5-3-4-6-7/h2H,1,3-6H2/p+1.
What are the key properties of 1-ethenylpyrrolidin-1-ium?
1-ethenylpyrrolidin-1-ium has a molecular weight of 98.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-1-ium is sourced from PubChem (CID 22093371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).