(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one

C12H13NO2 — CID 92854553

IUPAC(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
SMILESCN1CCC[C@]12OC(=O)c1ccccc12
InChIInChI=1S/C12H13NO2/c1-13-8-4-7-12(13)10-6-3-2-5-9(10)11(14)15-12/h2-3,5-6H,4,7-8H2,1H3/t12-/m1/s1
InChIKeyYWAAZZCPWLHJAN-GFCCVEGCSA-N
MW203.24 g/mol
LogP1.74
Rot. Bonds

About (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one

(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one (PubChem CID 92854553) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
PubChem CID92854553
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
SMILESCN1CCC[C@]12OC(=O)c1ccccc12
InChIInChI=1S/C12H13NO2/c1-13-8-4-7-12(13)10-6-3-2-5-9(10)11(14)15-12/h2-3,5-6H,4,7-8H2,1H3/t12-/m1/s1
InChIKeyYWAAZZCPWLHJAN-GFCCVEGCSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one (CID 92854553) is (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one is CN1CCC[C@]12OC(=O)c1ccccc12.
What is the InChIKey of (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one?
The InChIKey is YWAAZZCPWLHJAN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-8-4-7-12(13)10-6-3-2-5-9(10)11(14)15-12/h2-3,5-6H,4,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one?
(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one is sourced from PubChem (CID 92854553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).