(2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate

C15H25NO2 — CID 573682

IUPAC(2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate
SMILESCC(=O)OC1C2CCCC1C(N1CCCC1)CC2
InChIInChI=1S/C15H25NO2/c1-11(17)18-15-12-5-4-6-13(15)14(8-7-12)16-9-2-3-10-16/h12-15H,2-10H2,1H3
InChIKeyLCESFZPIVFLOLG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds2

About (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate

(2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate (PubChem CID 573682) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate.

Molecular Properties

Compound Name(2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate
PubChem CID573682
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate
SMILESCC(=O)OC1C2CCCC1C(N1CCCC1)CC2
InChIInChI=1S/C15H25NO2/c1-11(17)18-15-12-5-4-6-13(15)14(8-7-12)16-9-2-3-10-16/h12-15H,2-10H2,1H3
InChIKeyLCESFZPIVFLOLG-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate
CID 6542027
[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate
CID 98272555
(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
CID 13378917
[(1S,2R,5R,9S)-2-pyrrolidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanyl] acetate
CID 50903395
[(1R,2S,5S,9S)-2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanyl] acetate
CID 11872182
[(9S)-2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] acetate
CID 42648510
[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] acetate
CID 3094328
[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
CID 99720110
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
(2-acetyloxy-1-azabicyclo[2.2.2]octan-3-yl) acetate
CID 68593357
(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
CID 7082197
[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 124895533

Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate?
The IUPAC name of (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate (CID 573682) is (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate.
What is the SMILES notation for (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate?
The canonical SMILES for (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate is CC(=O)OC1C2CCCC1C(N1CCCC1)CC2.
What is the InChIKey of (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate?
The InChIKey is LCESFZPIVFLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(17)18-15-12-5-4-6-13(15)14(8-7-12)16-9-2-3-10-16/h12-15H,2-10H2,1H3.
What are the key properties of (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate?
(2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate has a molecular weight of 251.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-yl-9-bicyclo[3.3.1]nonanyl) acetate is sourced from PubChem (CID 573682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).