pyrrolidin-1-ium

C4H10N+ — CID 3613359

IUPACpyrrolidin-1-ium
SMILESC1CC[NH2+]C1
InChIInChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/p+1
InChIKeyRWRDLPDLKQPQOW-UHFFFAOYSA-O
MW72.13 g/mol
LogP-0.66
Rot. Bonds

About pyrrolidin-1-ium

pyrrolidin-1-ium (PubChem CID 3613359) has the molecular formula C4H10N+ and a molecular weight of 72.13 g/mol. Its IUPAC name is pyrrolidin-1-ium.

Molecular Properties

Compound Namepyrrolidin-1-ium
PubChem CID3613359
Molecular FormulaC4H10N+
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC Namepyrrolidin-1-ium
SMILESC1CC[NH2+]C1
InChIInChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/p+1
InChIKeyRWRDLPDLKQPQOW-UHFFFAOYSA-O
XLogP-0.66
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ium?
The IUPAC name of pyrrolidin-1-ium (CID 3613359) is pyrrolidin-1-ium.
What is the SMILES notation for pyrrolidin-1-ium?
The canonical SMILES for pyrrolidin-1-ium is C1CC[NH2+]C1.
What is the InChIKey of pyrrolidin-1-ium?
The InChIKey is RWRDLPDLKQPQOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/p+1.
What are the key properties of pyrrolidin-1-ium?
pyrrolidin-1-ium has a molecular weight of 72.13 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ium is sourced from PubChem (CID 3613359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).