spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one

C12H12O3 — CID 155387781

IUPACspiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
SMILESO=C1OC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C12H12O3/c13-11-9-5-1-2-6-10(9)14-12(15-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyDFUYALLUWZJYOB-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.51
Rot. Bonds

About spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one

spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one (PubChem CID 155387781) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Namespiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
PubChem CID155387781
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Namespiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
SMILESO=C1OC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C12H12O3/c13-11-9-5-1-2-6-10(9)14-12(15-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyDFUYALLUWZJYOB-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one?
The IUPAC name of spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one (CID 155387781) is spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one.
What is the SMILES notation for spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one?
The canonical SMILES for spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one is O=C1OC2(CCCC2)Oc2ccccc21.
What is the InChIKey of spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one?
The InChIKey is DFUYALLUWZJYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-9-5-1-2-6-10(9)14-12(15-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2.
What are the key properties of spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one?
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one has a molecular weight of 204.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 155387781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).