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

C10H11NO2 — CID 112714478

IUPACspiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
SMILESO=C1c2cnoc2CCC12CCC2
InChIInChI=1S/C10H11NO2/c12-9-7-6-11-13-8(7)2-5-10(9)3-1-4-10/h6H,1-5H2
InChIKeySESBHJPVUWWRCQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.97
Rot. Bonds

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

spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one (PubChem CID 112714478) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one.

Molecular Properties

Compound Namespiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
PubChem CID112714478
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namespiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
SMILESO=C1c2cnoc2CCC12CCC2
InChIInChI=1S/C10H11NO2/c12-9-7-6-11-13-8(7)2-5-10(9)3-1-4-10/h6H,1-5H2
InChIKeySESBHJPVUWWRCQ-UHFFFAOYSA-N
XLogP1.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
CID 112714436
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
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
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 153334406
5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
CID 112714362
4,5-dihydrobenzo[e][1,2]benzoxazole
CID 84654087
5,6-dihydro-4H-1,2-benzoxazol-7-one
CID 83872246
6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one
CID 82417010
spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
CID 112714534

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one?
The IUPAC name of spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one (CID 112714478) is spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one.
What is the SMILES notation for spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one?
The canonical SMILES for spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one is O=C1c2cnoc2CCC12CCC2.
What is the InChIKey of spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one?
The InChIKey is SESBHJPVUWWRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9-7-6-11-13-8(7)2-5-10(9)3-1-4-10/h6H,1-5H2.
What are the key properties of spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one?
spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one is sourced from PubChem (CID 112714478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).