(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol

C14H19NO2 — CID 46220656

IUPAC(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H19NO2/c16-13-4-7-15(10-13)6-3-11-1-2-14-12(9-11)5-8-17-14/h1-2,9,13,16H,3-8,10H2/t13-/m1/s1
InChIKeyPIOIMEVPXVHHHF-CYBMUJFWSA-N
MW233.31 g/mol
LogP1.23
Rot. Bonds3

About (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol

(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol (PubChem CID 46220656) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
PubChem CID46220656
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H19NO2/c16-13-4-7-15(10-13)6-3-11-1-2-14-12(9-11)5-8-17-14/h1-2,9,13,16H,3-8,10H2/t13-/m1/s1
InChIKeyPIOIMEVPXVHHHF-CYBMUJFWSA-N
XLogP1.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
CID 111487291
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892101
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2,3-dihydroxybutanedioic acid
CID 69305923
tert-butyl N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]carbamate
CID 71987002

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol (CID 46220656) is (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol is O[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is PIOIMEVPXVHHHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-4-7-15(10-13)6-3-11-1-2-14-12(9-11)5-8-17-14/h1-2,9,13,16H,3-8,10H2/t13-/m1/s1.
What are the key properties of (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol?
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 46220656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).