spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione

C13H15NO2 — CID 70333412

IUPACspiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione
SMILESO=C1CC2(CCCC2)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C13H15NO2/c15-11-8-13(5-1-2-6-13)7-10-9(11)3-4-12(16)14-10/h3-4H,1-2,5-8H2,(H,14,16)
InChIKeyZARIRKNIRHGTGD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds

About spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione

spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione (PubChem CID 70333412) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione.

Molecular Properties

Compound Namespiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione
PubChem CID70333412
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namespiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione
SMILESO=C1CC2(CCCC2)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C13H15NO2/c15-11-8-13(5-1-2-6-13)7-10-9(11)3-4-12(16)14-10/h3-4H,1-2,5-8H2,(H,14,16)
InChIKeyZARIRKNIRHGTGD-UHFFFAOYSA-N
XLogP2.06
TPSA49.93 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione?
The IUPAC name of spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione (CID 70333412) is spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione.
What is the SMILES notation for spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione?
The canonical SMILES for spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione is O=C1CC2(CCCC2)Cc2[nH]c(=O)ccc21.
What is the InChIKey of spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione?
The InChIKey is ZARIRKNIRHGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-11-8-13(5-1-2-6-13)7-10-9(11)3-4-12(16)14-10/h3-4H,1-2,5-8H2,(H,14,16).
What are the key properties of spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione?
spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,8-dihydro-1H-quinoline-7,1'-cyclopentane]-2,5-dione is sourced from PubChem (CID 70333412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).