(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine

C12H15NO — CID 96748686

IUPAC(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
SMILESc1cc2c(cc1[C@H]1CCNC1)OCC2
InChIInChI=1S/C12H15NO/c1-2-10(11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-2,7,11,13H,3-6,8H2/t11-/m0/s1
InChIKeyROVWWQDMAWAZGQ-NSHDSACASA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds1

About (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine

(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine (PubChem CID 96748686) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
PubChem CID96748686
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
SMILESc1cc2c(cc1[C@H]1CCNC1)OCC2
InChIInChI=1S/C12H15NO/c1-2-10(11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-2,7,11,13H,3-6,8H2/t11-/m0/s1
InChIKeyROVWWQDMAWAZGQ-NSHDSACASA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine?
The IUPAC name of (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine (CID 96748686) is (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine?
The canonical SMILES for (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine is c1cc2c(cc1[C@H]1CCNC1)OCC2.
What is the InChIKey of (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine?
The InChIKey is ROVWWQDMAWAZGQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO/c1-2-10(11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-2,7,11,13H,3-6,8H2/t11-/m0/s1.
What are the key properties of (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine?
(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine has a molecular weight of 189.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine is sourced from PubChem (CID 96748686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).