[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone

C13H19NO2 — CID 103761920

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESO=C(C1C2C3CCC(C3)C12)N1CC[C@@H](O)C1
InChIInChI=1S/C13H19NO2/c15-9-3-4-14(6-9)13(16)12-10-7-1-2-8(5-7)11(10)12/h7-12,15H,1-6H2/t7?,8?,9-,10?,11?,12?/m1/s1
InChIKeyJEEZFPQKHGVAMR-MHBKBJEVSA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone (PubChem CID 103761920) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
PubChem CID103761920
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESO=C(C1C2C3CCC(C3)C12)N1CC[C@@H](O)C1
InChIInChI=1S/C13H19NO2/c15-9-3-4-14(6-9)13(16)12-10-7-1-2-8(5-7)11(10)12/h7-12,15H,1-6H2/t7?,8?,9-,10?,11?,12?/m1/s1
InChIKeyJEEZFPQKHGVAMR-MHBKBJEVSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone with MolForge

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Related Compounds

2-(2-Bicyclo[2.2.1]heptanyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 45795540
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103857496
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 108412923
2-(2-Bicyclo[2.2.1]heptanyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 42891493
2-Bicyclo[2.2.1]heptanyl-(3-hydroxypiperidin-1-yl)methanone
CID 43415860
Bicyclo[2.2.1]heptan-2-yl(4-hydroxypiperidin-1-yl)methanone
CID 43416075
2-(2-bicyclo[2.2.1]heptanyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576908
N-cyclopropyl-N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43577021
2-(2-bicyclo[2.2.1]heptanyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653209
N,N-bis(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61235066
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334217
N-(2-hydroxypropyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 62334563

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone (CID 103761920) is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone is O=C(C1C2C3CCC(C3)C12)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The InChIKey is JEEZFPQKHGVAMR-MHBKBJEVSA-N. The full InChI is InChI=1S/C13H19NO2/c15-9-3-4-14(6-9)13(16)12-10-7-1-2-8(5-7)11(10)12/h7-12,15H,1-6H2/t7?,8?,9-,10?,11?,12?/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone has a molecular weight of 221.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone is sourced from PubChem (CID 103761920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).