spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

C12H13NO — CID 66109541

IUPACspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
SMILESO=C1CC2(CCc3ccccc32)CN1
InChIInChI=1S/C12H13NO/c14-11-7-12(8-13-11)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14)
InChIKeyZGUQZVBFAFKXJC-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.39
Rot. Bonds

About spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (PubChem CID 66109541) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
PubChem CID66109541
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Namespiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
SMILESO=C1CC2(CCc3ccccc32)CN1
InChIInChI=1S/C12H13NO/c14-11-7-12(8-13-11)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14)
InChIKeyZGUQZVBFAFKXJC-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The IUPAC name of spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (CID 66109541) is spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is O=C1CC2(CCc3ccccc32)CN1.
What is the InChIKey of spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The InChIKey is ZGUQZVBFAFKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-11-7-12(8-13-11)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14).
What are the key properties of spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one has a molecular weight of 187.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 66109541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).