(2R)-2-cyclobutylpyrrolidin-1-ium

C8H16N+ — CID 7047976

IUPAC(2R)-2-cyclobutylpyrrolidin-1-ium
SMILESC1CC([C@H]2CCC[NH2+]2)C1
InChIInChI=1S/C8H15N/c1-3-7(4-1)8-5-2-6-9-8/h7-9H,1-6H2/p+1/t8-/m1/s1
InChIKeyLOYAIHRKONEJEX-MRVPVSSYSA-O
MW126.22 g/mol
LogP0.51
Rot. Bonds1

About (2R)-2-cyclobutylpyrrolidin-1-ium

(2R)-2-cyclobutylpyrrolidin-1-ium (PubChem CID 7047976) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is (2R)-2-cyclobutylpyrrolidin-1-ium.

Molecular Properties

Compound Name(2R)-2-cyclobutylpyrrolidin-1-ium
PubChem CID7047976
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name(2R)-2-cyclobutylpyrrolidin-1-ium
SMILESC1CC([C@H]2CCC[NH2+]2)C1
InChIInChI=1S/C8H15N/c1-3-7(4-1)8-5-2-6-9-8/h7-9H,1-6H2/p+1/t8-/m1/s1
InChIKeyLOYAIHRKONEJEX-MRVPVSSYSA-O
XLogP0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium
CID 7431640
(3R)-1-methyl-3-[(2S)-pyrrolidin-1-ium-2-yl]piperidin-1-ium
CID 7047980
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 23277963
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
(2S)-2-methylpyrrolidin-1-ium
CID 6999701
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
tricyclo[11.9.0.05,8]docosane
CID 123241919

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclobutylpyrrolidin-1-ium?
The IUPAC name of (2R)-2-cyclobutylpyrrolidin-1-ium (CID 7047976) is (2R)-2-cyclobutylpyrrolidin-1-ium.
What is the SMILES notation for (2R)-2-cyclobutylpyrrolidin-1-ium?
The canonical SMILES for (2R)-2-cyclobutylpyrrolidin-1-ium is C1CC([C@H]2CCC[NH2+]2)C1.
What is the InChIKey of (2R)-2-cyclobutylpyrrolidin-1-ium?
The InChIKey is LOYAIHRKONEJEX-MRVPVSSYSA-O. The full InChI is InChI=1S/C8H15N/c1-3-7(4-1)8-5-2-6-9-8/h7-9H,1-6H2/p+1/t8-/m1/s1.
What are the key properties of (2R)-2-cyclobutylpyrrolidin-1-ium?
(2R)-2-cyclobutylpyrrolidin-1-ium has a molecular weight of 126.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclobutylpyrrolidin-1-ium is sourced from PubChem (CID 7047976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).