1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one

C11H10O2 — CID 11194617

IUPAC1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
SMILESCC1C(=O)C2Oc3ccccc3C12
InChIInChI=1S/C11H10O2/c1-6-9-7-4-2-3-5-8(7)13-11(9)10(6)12/h2-6,9,11H,1H3
InChIKeyFAULRSRFLPLZJP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.75
Rot. Bonds

About 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one

1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one (PubChem CID 11194617) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one.

Molecular Properties

Compound Name1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
PubChem CID11194617
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
SMILESCC1C(=O)C2Oc3ccccc3C12
InChIInChI=1S/C11H10O2/c1-6-9-7-4-2-3-5-8(7)13-11(9)10(6)12/h2-6,9,11H,1H3
InChIKeyFAULRSRFLPLZJP-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone
CID 130027655
(3aS,8bR)-1-methyl-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 12969897
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
(1S,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 7730187
(1R,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 6541116
(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one
CID 132594325
(1S,3aS,8bR)-1-tert-butyl-1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one
CID 162406866
(1S,3aS,8bR)-1-propan-2-yl-1,3,3a,8b-tetrahydro-[1]benzofuro[2,3-b]pyrrol-2-one
CID 162410241
5-methyl-5H-benzo[d][1,3]benzodioxocin-11-one
CID 70420478
(2S,3R,5S,6R)-2,6-bis(2-chlorophenyl)-3,5-dimethyl-4-oxocyclohexane-1-carbaldehyde
CID 139065413
(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
(1S,3Z,4aR,9bS)-1-butyl-3-[hydroxy(phenyl)methylidene]-1,2,4a,9b-tetrahydrodibenzofuran-4-one
CID 11772421

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one?
The IUPAC name of 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one (CID 11194617) is 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one.
What is the SMILES notation for 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one?
The canonical SMILES for 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one is CC1C(=O)C2Oc3ccccc3C12.
What is the InChIKey of 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one?
The InChIKey is FAULRSRFLPLZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-6-9-7-4-2-3-5-8(7)13-11(9)10(6)12/h2-6,9,11H,1H3.
What are the key properties of 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one?
1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one is sourced from PubChem (CID 11194617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).