1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone

C12H12O3 — CID 12650935

IUPAC1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone
SMILESCC(=O)C1CCc2cc3c(cc21)OCO3
InChIInChI=1S/C12H12O3/c1-7(13)9-3-2-8-4-11-12(5-10(8)9)15-6-14-11/h4-5,9H,2-3,6H2,1H3
InChIKeyOTTLUOPZPQSDIL-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.03
Rot. Bonds1

About 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone

1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone (PubChem CID 12650935) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone
PubChem CID12650935
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone
SMILESCC(=O)C1CCc2cc3c(cc21)OCO3
InChIInChI=1S/C12H12O3/c1-7(13)9-3-2-8-4-11-12(5-10(8)9)15-6-14-11/h4-5,9H,2-3,6H2,1H3
InChIKeyOTTLUOPZPQSDIL-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
CID 146232024
2-(5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ylsulfanyl)acetic acid
CID 14514919
2-methoxy-1-[(5S)-7-propyl-5,6,8,9-tetrahydro-[1,3]dioxolo[4,5-h][3]benzazepin-5-yl]prop-2-en-1-one
CID 166938161
1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
CID 177499030
cyclohexyl-[(5S)-5-(3-methyl-1,2-oxazol-5-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]methanone
CID 51496831
dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate
CID 70986389
diethyl 5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21,21-dicarboxylate
CID 122203040
[(1R,11S,12S,13R)-13-(acetyloxymethyl)-5,7,14-trioxatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4(8),9-trien-12-yl]methyl acetate
CID 11823828
[(1R,15S,16Z,17R,19R)-16-(trimethylsilylmethylidene)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate
CID 101208634
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
5-(2-ethylbutyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 106781056
6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-ol
CID 22759802

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone (CID 12650935) is 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone is CC(=O)C1CCc2cc3c(cc21)OCO3.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone?
The InChIKey is OTTLUOPZPQSDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7(13)9-3-2-8-4-11-12(5-10(8)9)15-6-14-11/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone?
1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone is sourced from PubChem (CID 12650935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).