(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one

C12H19NO — CID 6554736

IUPAC(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
SMILESO=C1[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CC2
InChIInChI=1S/C12H19NO/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13/h9-11H,1-8H2/t9-,10+,11+/m0/s1
InChIKeyAQIRYCHYVBAVOC-HBNTYKKESA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds1

About (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one

(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one (PubChem CID 6554736) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
PubChem CID6554736
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
SMILESO=C1[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CC2
InChIInChI=1S/C12H19NO/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13/h9-11H,1-8H2/t9-,10+,11+/m0/s1
InChIKeyAQIRYCHYVBAVOC-HBNTYKKESA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
CID 50935523
(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one
CID 18555210
(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
CID 7114611
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one
CID 6430124
(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine
CID 98091468
2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide
CID 15314475
(1S,6S)-bicyclo[4.2.1]nonan-9-one
CID 98153778
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde
CID 59356655
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one?
The IUPAC name of (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one (CID 6554736) is (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one is O=C1[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CC2.
What is the InChIKey of (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one?
The InChIKey is AQIRYCHYVBAVOC-HBNTYKKESA-N. The full InChI is InChI=1S/C12H19NO/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13/h9-11H,1-8H2/t9-,10+,11+/m0/s1.
What are the key properties of (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one?
(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one has a molecular weight of 193.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 6554736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).