1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone

C11H10O2 — CID 130027655

IUPAC1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone
SMILESCC(=O)C1C2Oc3ccccc3C21
InChIInChI=1S/C11H10O2/c1-6(12)9-10-7-4-2-3-5-8(7)13-11(9)10/h2-5,9-11H,1H3
InChIKeyOANJTJMNAQUPHO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.75
Rot. Bonds1

About 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone

1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone (PubChem CID 130027655) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone.

Molecular Properties

Compound Name1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone
PubChem CID130027655
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone
SMILESCC(=O)C1C2Oc3ccccc3C21
InChIInChI=1S/C11H10O2/c1-6(12)9-10-7-4-2-3-5-8(7)13-11(9)10/h2-5,9-11H,1H3
InChIKeyOANJTJMNAQUPHO-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-[(1R,4aR,9aS)-1,3-dimethyl-1,2,4a,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-4-yl]ethanone
CID 124908960
dimethyl (1R,2S,10S,11R)-9-oxatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraene-12,13-dicarboxylate
CID 12022410
1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
CID 11194617
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
1-[(1R,9S,13R)-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]ethanone
CID 124537406
(1S,1aS,6bR)-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 170903944
methyl (1R,9R,13S)-12-acetyl-11-methyl-8,10-dioxatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-13-carboxylate
CID 72736691
(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one
CID 132594325
1-[(2S,3R)-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propan-1-one
CID 71445172
1-(9-deuterioxanthen-9-yl)propan-2-one
CID 101035388
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
(1S,2R,10R,11S,15R)-15-(chloromethyl)-1-hydroxy-12,15-dimethyl-9-oxatetracyclo[9.3.1.02,10.03,8]pentadeca-3,5,7,12-tetraen-14-one
CID 132594318

Frequently Asked Questions

What is the IUPAC name of 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone?
The IUPAC name of 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone (CID 130027655) is 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone.
What is the SMILES notation for 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone?
The canonical SMILES for 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone is CC(=O)C1C2Oc3ccccc3C21.
What is the InChIKey of 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone?
The InChIKey is OANJTJMNAQUPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-6(12)9-10-7-4-2-3-5-8(7)13-11(9)10/h2-5,9-11H,1H3.
What are the key properties of 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone?
1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone is sourced from PubChem (CID 130027655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).