spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one

C11H13NO — CID 112714425

IUPACspiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one
SMILESO=C1c2c[nH]cc2CCC12CCC2
InChIInChI=1S/C11H13NO/c13-10-9-7-12-6-8(9)2-5-11(10)3-1-4-11/h6-7,12H,1-5H2
InChIKeyIDBFVMMYJIMCBB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.31
Rot. Bonds

About spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one

spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one (PubChem CID 112714425) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one.

Molecular Properties

Compound Namespiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one
PubChem CID112714425
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namespiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one
SMILESO=C1c2c[nH]cc2CCC12CCC2
InChIInChI=1S/C11H13NO/c13-10-9-7-12-6-8(9)2-5-11(10)3-1-4-11/h6-7,12H,1-5H2
InChIKeyIDBFVMMYJIMCBB-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
CID 112714872
spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
CID 112714436
spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
CID 112714478
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one
CID 112715921
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 58197205
5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 21433686
3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
CID 15686556

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one?
The IUPAC name of spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one (CID 112714425) is spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one.
What is the SMILES notation for spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one?
The canonical SMILES for spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one is O=C1c2c[nH]cc2CCC12CCC2.
What is the InChIKey of spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one?
The InChIKey is IDBFVMMYJIMCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-9-7-12-6-8(9)2-5-11(10)3-1-4-11/h6-7,12H,1-5H2.
What are the key properties of spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one?
spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one has a molecular weight of 175.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one is sourced from PubChem (CID 112714425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).