2-(1-benzofuran-6-yl)pyrrolidine

C12H13NO — CID 82602445

IUPAC2-(1-benzofuran-6-yl)pyrrolidine
SMILESc1cc2ccc(C3CCCN3)cc2o1
InChIInChI=1S/C12H13NO/c1-2-11(13-6-1)10-4-3-9-5-7-14-12(9)8-10/h3-5,7-8,11,13H,1-2,6H2
InChIKeyUDMBTDHTWHMWHU-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.86
Rot. Bonds1

About 2-(1-benzofuran-6-yl)pyrrolidine

2-(1-benzofuran-6-yl)pyrrolidine (PubChem CID 82602445) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(1-benzofuran-6-yl)pyrrolidine.

Molecular Properties

Compound Name2-(1-benzofuran-6-yl)pyrrolidine
PubChem CID82602445
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(1-benzofuran-6-yl)pyrrolidine
SMILESc1cc2ccc(C3CCCN3)cc2o1
InChIInChI=1S/C12H13NO/c1-2-11(13-6-1)10-4-3-9-5-7-14-12(9)8-10/h3-5,7-8,11,13H,1-2,6H2
InChIKeyUDMBTDHTWHMWHU-UHFFFAOYSA-N
XLogP2.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2R)-pyrrolidin-2-yl]chromen-2-one
CID 66518839
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-(5-methylfuran-3-yl)pyrrolidine
CID 82594860
5-pyrrolidin-2-yl-1H-indazole
CID 82602484
(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 169449503
(2R)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 171196163
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-6-yl)pyrrolidine?
The IUPAC name of 2-(1-benzofuran-6-yl)pyrrolidine (CID 82602445) is 2-(1-benzofuran-6-yl)pyrrolidine.
What is the SMILES notation for 2-(1-benzofuran-6-yl)pyrrolidine?
The canonical SMILES for 2-(1-benzofuran-6-yl)pyrrolidine is c1cc2ccc(C3CCCN3)cc2o1.
What is the InChIKey of 2-(1-benzofuran-6-yl)pyrrolidine?
The InChIKey is UDMBTDHTWHMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-11(13-6-1)10-4-3-9-5-7-14-12(9)8-10/h3-5,7-8,11,13H,1-2,6H2.
What are the key properties of 2-(1-benzofuran-6-yl)pyrrolidine?
2-(1-benzofuran-6-yl)pyrrolidine has a molecular weight of 187.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-6-yl)pyrrolidine is sourced from PubChem (CID 82602445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).