2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone

C18H29NO2 — CID 128521650

IUPAC2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC2CCC1CC2)N1CCCC1C1CCOCC1
InChIInChI=1S/C18H29NO2/c20-18(16-12-13-3-5-14(16)6-4-13)19-9-1-2-17(19)15-7-10-21-11-8-15/h13-17H,1-12H2
InChIKeyDMCZMJFDJGNEAJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.23
Rot. Bonds2

About 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone

2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 128521650) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone
PubChem CID128521650
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC2CCC1CC2)N1CCCC1C1CCOCC1
InChIInChI=1S/C18H29NO2/c20-18(16-12-13-3-5-14(16)6-4-13)19-9-1-2-17(19)15-7-10-21-11-8-15/h13-17H,1-12H2
InChIKeyDMCZMJFDJGNEAJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
CID 127758967
4-[(2S)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 129470732
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
(4-aminooxolan-3-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 66237049
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 129470637
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone
CID 94607673
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,4-dimethylcyclohexyl)methanone
CID 102728751
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-bicyclo[2.2.1]heptanyl)methanone
CID 102726157
2-bicyclo[2.2.1]heptanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484137

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone (CID 128521650) is 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone is O=C(C1CC2CCC1CC2)N1CCCC1C1CCOCC1.
What is the InChIKey of 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DMCZMJFDJGNEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-18(16-12-13-3-5-14(16)6-4-13)19-9-1-2-17(19)15-7-10-21-11-8-15/h13-17H,1-12H2.
What are the key properties of 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone?
2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 291.44 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128521650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).