spiro[2H-isoindole-3,2'-oxolane]-1-one

C11H11NO2 — CID 171618371

IUPACspiro[2H-isoindole-3,2'-oxolane]-1-one
SMILESO=C1NC2(CCCO2)c2ccccc21
InChIInChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11(12-10)6-3-7-14-11/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyCILSQEPWKCYXBQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.39
Rot. Bonds

About spiro[2H-isoindole-3,2'-oxolane]-1-one

spiro[2H-isoindole-3,2'-oxolane]-1-one (PubChem CID 171618371) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is spiro[2H-isoindole-3,2'-oxolane]-1-one.

Molecular Properties

Compound Namespiro[2H-isoindole-3,2'-oxolane]-1-one
PubChem CID171618371
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namespiro[2H-isoindole-3,2'-oxolane]-1-one
SMILESO=C1NC2(CCCO2)c2ccccc21
InChIInChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11(12-10)6-3-7-14-11/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyCILSQEPWKCYXBQ-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-
CID 168974
2,3-Dihydro-3-hydroxy-3-methyl-1H-isoindol-1-one
CID 11205953
3-Phenyl-3-propoxy-2-propylisoindol-1-one
CID 44391777
(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
CID 92854553
3-Hydroxy-3-phenylisoindolin-1-one
CID 243266
3-ethyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 53473500
3-methoxy-2-propyl-3H-isoindol-1-one
CID 4651926
3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone
CID 4221442
3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6(10bH)-one
CID 12047450
3-methoxy-2-methyl-3H-isoindol-1-one
CID 13678437
3-Ethoxy-1-isoindolinone
CID 378324

Frequently Asked Questions

What is the IUPAC name of spiro[2H-isoindole-3,2'-oxolane]-1-one?
The IUPAC name of spiro[2H-isoindole-3,2'-oxolane]-1-one (CID 171618371) is spiro[2H-isoindole-3,2'-oxolane]-1-one.
What is the SMILES notation for spiro[2H-isoindole-3,2'-oxolane]-1-one?
The canonical SMILES for spiro[2H-isoindole-3,2'-oxolane]-1-one is O=C1NC2(CCCO2)c2ccccc21.
What is the InChIKey of spiro[2H-isoindole-3,2'-oxolane]-1-one?
The InChIKey is CILSQEPWKCYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11(12-10)6-3-7-14-11/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of spiro[2H-isoindole-3,2'-oxolane]-1-one?
spiro[2H-isoindole-3,2'-oxolane]-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-isoindole-3,2'-oxolane]-1-one is sourced from PubChem (CID 171618371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).