2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone

C19H33NO2 — CID 90967818

IUPAC2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone
SMILESCC[C@@]1(OCC(=O)C2CCCN2)CC[C@H]2CCCC[C@H](C2)C1
InChIInChI=1S/C19H33NO2/c1-2-19(22-14-18(21)17-8-5-11-20-17)10-9-15-6-3-4-7-16(12-15)13-19/h15-17,20H,2-14H2,1H3/t15-,16-,17?,19-/m1/s1
InChIKeyDRFDTKKZGUKCAS-XACFYFHVSA-N
MW307.48 g/mol
LogP3.85
Rot. Bonds5

About 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone

2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone (PubChem CID 90967818) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone
PubChem CID90967818
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone
SMILESCC[C@@]1(OCC(=O)C2CCCN2)CC[C@H]2CCCC[C@H](C2)C1
InChIInChI=1S/C19H33NO2/c1-2-19(22-14-18(21)17-8-5-11-20-17)10-9-15-6-3-4-7-16(12-15)13-19/h15-17,20H,2-14H2,1H3/t15-,16-,17?,19-/m1/s1
InChIKeyDRFDTKKZGUKCAS-XACFYFHVSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone with MolForge

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Related Compounds

2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-(oxolan-2-yl)ethanone
CID 91305241
2-propoxy-1-pyrrolidin-2-ylethanone
CID 116547460
2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 59628860
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 60711839
2-(1-adamantyl)propan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 10924276
2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 163492498
2-cyclopropyl-1-piperidin-2-ylethanone
CID 119030480
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone
CID 130596842
2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 88656601
(2S)-N-[(1-ethylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 103797869

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone (CID 90967818) is 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone is CC[C@@]1(OCC(=O)C2CCCN2)CC[C@H]2CCCC[C@H](C2)C1.
What is the InChIKey of 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone?
The InChIKey is DRFDTKKZGUKCAS-XACFYFHVSA-N. The full InChI is InChI=1S/C19H33NO2/c1-2-19(22-14-18(21)17-8-5-11-20-17)10-9-15-6-3-4-7-16(12-15)13-19/h15-17,20H,2-14H2,1H3/t15-,16-,17?,19-/m1/s1.
What are the key properties of 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone?
2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone has a molecular weight of 307.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 90967818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).