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

C11H12O2 — CID 112714431

IUPACspiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
SMILESO=C1c2ccoc2CCC12CCC2
InChIInChI=1S/C11H12O2/c12-10-8-3-7-13-9(8)2-6-11(10)4-1-5-11/h3,7H,1-2,4-6H2
InChIKeyZMQWKURXXBWFSM-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.58
Rot. Bonds

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

spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one (PubChem CID 112714431) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one.

Molecular Properties

Compound Namespiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
PubChem CID112714431
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Namespiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
SMILESO=C1c2ccoc2CCC12CCC2
InChIInChI=1S/C11H12O2/c12-10-8-3-7-13-9(8)2-6-11(10)4-1-5-11/h3,7H,1-2,4-6H2
InChIKeyZMQWKURXXBWFSM-UHFFFAOYSA-N
XLogP2.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
CID 112714478
spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
CID 112714872
spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one
CID 112714425
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate
CID 134940243
5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one
CID 86047582
spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
CID 112714436
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one
CID 112715921
(S)-N-(5,5-dimethyl-6,7-dihydro-1-benzofuran-4-ylidene)-2-methylpropane-2-sulfinamide
CID 137479616
tert-butyl N-[(S)-(4-fluorophenyl)-[(5R)-5-methyl-4-oxo-6,7-dihydro-1-benzofuran-5-yl]methyl]carbamate
CID 134954974

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one?
The IUPAC name of spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one (CID 112714431) is spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one.
What is the SMILES notation for spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one?
The canonical SMILES for spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one is O=C1c2ccoc2CCC12CCC2.
What is the InChIKey of spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one?
The InChIKey is ZMQWKURXXBWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-8-3-7-13-9(8)2-6-11(10)4-1-5-11/h3,7H,1-2,4-6H2.
What are the key properties of spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one?
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one has a molecular weight of 176.22 g/mol, XLogP of 2.58, 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-1-benzofuran-5,1'-cyclobutane]-4-one is sourced from PubChem (CID 112714431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).