[(3R)-pyrrolidin-1-ium-3-yl]azanium

C4H12N2+2 — CID 7318910

IUPAC[(3R)-pyrrolidin-1-ium-3-yl]azanium
SMILES[NH3+][C@@H]1CC[NH2+]C1
InChIInChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/p+2/t4-/m1/s1
InChIKeyNGXSWUFDCSEIOO-SCSAIBSYSA-P
MW88.15 g/mol
LogP-2.44
Rot. Bonds

About [(3R)-pyrrolidin-1-ium-3-yl]azanium

[(3R)-pyrrolidin-1-ium-3-yl]azanium (PubChem CID 7318910) has the molecular formula C4H12N2+2 and a molecular weight of 88.15 g/mol. Its IUPAC name is [(3R)-pyrrolidin-1-ium-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-pyrrolidin-1-ium-3-yl]azanium
PubChem CID7318910
Molecular FormulaC4H12N2+2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Name[(3R)-pyrrolidin-1-ium-3-yl]azanium
SMILES[NH3+][C@@H]1CC[NH2+]C1
InChIInChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/p+2/t4-/m1/s1
InChIKeyNGXSWUFDCSEIOO-SCSAIBSYSA-P
XLogP-2.44
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-2.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-1-ium-3-yl]azanium?
The IUPAC name of [(3R)-pyrrolidin-1-ium-3-yl]azanium (CID 7318910) is [(3R)-pyrrolidin-1-ium-3-yl]azanium.
What is the SMILES notation for [(3R)-pyrrolidin-1-ium-3-yl]azanium?
The canonical SMILES for [(3R)-pyrrolidin-1-ium-3-yl]azanium is [NH3+][C@@H]1CC[NH2+]C1.
What is the InChIKey of [(3R)-pyrrolidin-1-ium-3-yl]azanium?
The InChIKey is NGXSWUFDCSEIOO-SCSAIBSYSA-P. The full InChI is InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/p+2/t4-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-1-ium-3-yl]azanium?
[(3R)-pyrrolidin-1-ium-3-yl]azanium has a molecular weight of 88.15 g/mol, XLogP of -2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-1-ium-3-yl]azanium is sourced from PubChem (CID 7318910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).