(3R)-3-(1-benzofuran-3-yl)pyrrolidine

C12H13NO — CID 96625875

IUPAC(3R)-3-(1-benzofuran-3-yl)pyrrolidine
SMILESc1ccc2c([C@H]3CCNC3)coc2c1
InChIInChI=1S/C12H13NO/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,8-9,13H,5-7H2/t9-/m0/s1
InChIKeyFUYGNRRQDKUVHC-VIFPVBQESA-N
MW187.24 g/mol
LogP2.51
Rot. Bonds1

About (3R)-3-(1-benzofuran-3-yl)pyrrolidine

(3R)-3-(1-benzofuran-3-yl)pyrrolidine (PubChem CID 96625875) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R)-3-(1-benzofuran-3-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(1-benzofuran-3-yl)pyrrolidine
PubChem CID96625875
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3R)-3-(1-benzofuran-3-yl)pyrrolidine
SMILESc1ccc2c([C@H]3CCNC3)coc2c1
InChIInChI=1S/C12H13NO/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,8-9,13H,5-7H2/t9-/m0/s1
InChIKeyFUYGNRRQDKUVHC-VIFPVBQESA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzofuran-3-yl)-1-methylpiperidine
CID 20758862
3-(4-methylnaphthalen-1-yl)pyrrolidine
CID 70971659
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
CID 21105470
3-(1-benzofuran-3-yloxy)piperidine
CID 176569963
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
4-(1-benzofuran-3-yl)-2-oxoimidazolidine-1-carbonitrile
CID 116980096
3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzofuran-3-yl)pyrrolidine?
The IUPAC name of (3R)-3-(1-benzofuran-3-yl)pyrrolidine (CID 96625875) is (3R)-3-(1-benzofuran-3-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-(1-benzofuran-3-yl)pyrrolidine?
The canonical SMILES for (3R)-3-(1-benzofuran-3-yl)pyrrolidine is c1ccc2c([C@H]3CCNC3)coc2c1.
What is the InChIKey of (3R)-3-(1-benzofuran-3-yl)pyrrolidine?
The InChIKey is FUYGNRRQDKUVHC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,8-9,13H,5-7H2/t9-/m0/s1.
What are the key properties of (3R)-3-(1-benzofuran-3-yl)pyrrolidine?
(3R)-3-(1-benzofuran-3-yl)pyrrolidine has a molecular weight of 187.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzofuran-3-yl)pyrrolidine is sourced from PubChem (CID 96625875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).