1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol

C11H20N2O — CID 130961402

IUPAC1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol
SMILESCC(C1C2CNC1C2)N1CCC(O)C1
InChIInChI=1S/C11H20N2O/c1-7(13-3-2-9(14)6-13)11-8-4-10(11)12-5-8/h7-12,14H,2-6H2,1H3
InChIKeyRSCBRCWUGRMLPM-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.05
Rot. Bonds2

About 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol

1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol (PubChem CID 130961402) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol
PubChem CID130961402
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol
SMILESCC(C1C2CNC1C2)N1CCC(O)C1
InChIInChI=1S/C11H20N2O/c1-7(13-3-2-9(14)6-13)11-8-4-10(11)12-5-8/h7-12,14H,2-6H2,1H3
InChIKeyRSCBRCWUGRMLPM-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
CID 164648889
5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
CID 131062561
(3R)-1-[(1R)-1-[(3S)-pyrrolidin-3-yl]ethyl]pyrrolidin-3-ol
CID 129415903
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329
(3S)-1-[(2R)-3-methylbutan-2-yl]pyrrolidin-3-ol
CID 172508295
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
CID 66291661
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine
CID 130787774

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol (CID 130961402) is 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol is CC(C1C2CNC1C2)N1CCC(O)C1.
What is the InChIKey of 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is RSCBRCWUGRMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(13-3-2-9(14)6-13)11-8-4-10(11)12-5-8/h7-12,14H,2-6H2,1H3.
What are the key properties of 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol?
1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 196.29 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 130961402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).