spiro[3H-indene-2,4'-oxane]-1-one

C13H14O2 — CID 100741937

IUPACspiro[3H-indene-2,4'-oxane]-1-one
SMILESO=C1c2ccccc2CC12CCOCC2
InChIInChI=1S/C13H14O2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13/h1-4H,5-9H2
InChIKeyGPXNSSLWABAIMP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.22
Rot. Bonds

About spiro[3H-indene-2,4'-oxane]-1-one

spiro[3H-indene-2,4'-oxane]-1-one (PubChem CID 100741937) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is spiro[3H-indene-2,4'-oxane]-1-one.

Molecular Properties

Compound Namespiro[3H-indene-2,4'-oxane]-1-one
PubChem CID100741937
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namespiro[3H-indene-2,4'-oxane]-1-one
SMILESO=C1c2ccccc2CC12CCOCC2
InChIInChI=1S/C13H14O2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13/h1-4H,5-9H2
InChIKeyGPXNSSLWABAIMP-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-indene-2,4'-oxane]-1-one?
The IUPAC name of spiro[3H-indene-2,4'-oxane]-1-one (CID 100741937) is spiro[3H-indene-2,4'-oxane]-1-one.
What is the SMILES notation for spiro[3H-indene-2,4'-oxane]-1-one?
The canonical SMILES for spiro[3H-indene-2,4'-oxane]-1-one is O=C1c2ccccc2CC12CCOCC2.
What is the InChIKey of spiro[3H-indene-2,4'-oxane]-1-one?
The InChIKey is GPXNSSLWABAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13/h1-4H,5-9H2.
What are the key properties of spiro[3H-indene-2,4'-oxane]-1-one?
spiro[3H-indene-2,4'-oxane]-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-indene-2,4'-oxane]-1-one is sourced from PubChem (CID 100741937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).