1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one

C12H15NO2 — CID 83832861

IUPAC1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one
SMILESCN1CCC(=O)C12CCCc1occc12
InChIInChI=1S/C12H15NO2/c1-13-7-4-11(14)12(13)6-2-3-10-9(12)5-8-15-10/h5,8H,2-4,6-7H2,1H3
InChIKeyPYCITZWSJKMVQU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.72
Rot. Bonds

About 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one

1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one (PubChem CID 83832861) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one.

Molecular Properties

Compound Name1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one
PubChem CID83832861
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one
SMILESCN1CCC(=O)C12CCCc1occc12
InChIInChI=1S/C12H15NO2/c1-13-7-4-11(14)12(13)6-2-3-10-9(12)5-8-15-10/h5,8H,2-4,6-7H2,1H3
InChIKeyPYCITZWSJKMVQU-UHFFFAOYSA-N
XLogP1.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one?
The IUPAC name of 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one (CID 83832861) is 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one.
What is the SMILES notation for 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one?
The canonical SMILES for 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one is CN1CCC(=O)C12CCCc1occc12.
What is the InChIKey of 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one?
The InChIKey is PYCITZWSJKMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-7-4-11(14)12(13)6-2-3-10-9(12)5-8-15-10/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one?
1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one has a molecular weight of 205.26 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one is sourced from PubChem (CID 83832861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).