5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one

C13H15NO2 — CID 66106756

IUPAC5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
SMILESCC1NC(=O)CC12CCOc1ccccc12
InChIInChI=1S/C13H15NO2/c1-9-13(8-12(15)14-9)6-7-16-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyXZARPIMTGGZKBM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds

About 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one

5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one (PubChem CID 66106756) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
PubChem CID66106756
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
SMILESCC1NC(=O)CC12CCOc1ccccc12
InChIInChI=1S/C13H15NO2/c1-9-13(8-12(15)14-9)6-7-16-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyXZARPIMTGGZKBM-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
The IUPAC name of 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one (CID 66106756) is 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
The canonical SMILES for 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one is CC1NC(=O)CC12CCOc1ccccc12.
What is the InChIKey of 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
The InChIKey is XZARPIMTGGZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-13(8-12(15)14-9)6-7-16-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one has a molecular weight of 217.27 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 66106756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).