spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one

C12H14O2 — CID 112714872

IUPACspiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
SMILESO=C1c2cocc2CCC12CCCC2
InChIInChI=1S/C12H14O2/c13-11-10-8-14-7-9(10)3-6-12(11)4-1-2-5-12/h7-8H,1-6H2
InChIKeyUSRPYDQVNNJZGS-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.97
Rot. Bonds

About spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one

spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one (PubChem CID 112714872) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Namespiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
PubChem CID112714872
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namespiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
SMILESO=C1c2cocc2CCC12CCCC2
InChIInChI=1S/C12H14O2/c13-11-10-8-14-7-9(10)3-6-12(11)4-1-2-5-12/h7-8H,1-6H2
InChIKeyUSRPYDQVNNJZGS-UHFFFAOYSA-N
XLogP2.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one
CID 112715921
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one
CID 112714425
spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
CID 112714478
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
CID 112714436
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
CID 145243856
5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 21433686
spiro[13.14]octacosan-28-one
CID 12738452

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one?
The IUPAC name of spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one (CID 112714872) is spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one.
What is the SMILES notation for spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one?
The canonical SMILES for spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one is O=C1c2cocc2CCC12CCCC2.
What is the InChIKey of spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one?
The InChIKey is USRPYDQVNNJZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-10-8-14-7-9(10)3-6-12(11)4-1-2-5-12/h7-8H,1-6H2.
What are the key properties of spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one?
spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one has a molecular weight of 190.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 112714872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).