3-(1-benzofuran-6-yloxy)pyrrolidine

C12H13NO2 — CID 84671474

IUPAC3-(1-benzofuran-6-yloxy)pyrrolidine
SMILESc1cc2ccc(OC3CCNC3)cc2o1
InChIInChI=1S/C12H13NO2/c1-2-10(15-11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-2,4,6-7,11,13H,3,5,8H2
InChIKeyZZSKBTOCPJVFMF-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds2

About 3-(1-benzofuran-6-yloxy)pyrrolidine

3-(1-benzofuran-6-yloxy)pyrrolidine (PubChem CID 84671474) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yloxy)pyrrolidine.

Molecular Properties

Compound Name3-(1-benzofuran-6-yloxy)pyrrolidine
PubChem CID84671474
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(1-benzofuran-6-yloxy)pyrrolidine
SMILESc1cc2ccc(OC3CCNC3)cc2o1
InChIInChI=1S/C12H13NO2/c1-2-10(15-11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-2,4,6-7,11,13H,3,5,8H2
InChIKeyZZSKBTOCPJVFMF-UHFFFAOYSA-N
XLogP2.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-piperidin-3-yloxychromen-2-one
CID 46735671
5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
CID 141128879
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
N'-propyl-N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1-benzofuran-5-carboximidamide;dihydrochloride
CID 67593278
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
3-(2,3-dihydro-1-benzofuran-6-yloxy)pyrrolidine
CID 84673192
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-pyrrolidin-3-yloxyphenol
CID 83482218

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yloxy)pyrrolidine?
The IUPAC name of 3-(1-benzofuran-6-yloxy)pyrrolidine (CID 84671474) is 3-(1-benzofuran-6-yloxy)pyrrolidine.
What is the SMILES notation for 3-(1-benzofuran-6-yloxy)pyrrolidine?
The canonical SMILES for 3-(1-benzofuran-6-yloxy)pyrrolidine is c1cc2ccc(OC3CCNC3)cc2o1.
What is the InChIKey of 3-(1-benzofuran-6-yloxy)pyrrolidine?
The InChIKey is ZZSKBTOCPJVFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-10(15-11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-2,4,6-7,11,13H,3,5,8H2.
What are the key properties of 3-(1-benzofuran-6-yloxy)pyrrolidine?
3-(1-benzofuran-6-yloxy)pyrrolidine has a molecular weight of 203.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yloxy)pyrrolidine is sourced from PubChem (CID 84671474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).