Chemical Properties of (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one (CAS 117137-66-3)

(E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one

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InChI
InChI=1S/C18H23NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3,7,9-10,13H,1-2,4-6,8,11-12,14H2/b7-3+
InChI Key
UUHCCOYKUNWUQJ-XVNBXDOJSA-N
Formula
C18H23NO3
SMILES
O=C(CCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1
Molecular Weight1
301.38
CAS
117137-66-3
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Physical Properties

Property Value Unit Source
ω 0.7934 Relay (... Calculated Property
ΔfG° 29.36 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -423.29 kJ/mol Relay (... Calculated Property
ΔvapH° 103.82 kJ/mol Relay (... Calculated Property
IE 7.61 eV Relay (... Calculated Property
log10WS -3.66 Relay (... Calculated Property
logPoct/wat 3.611 Crippen Calculated Property
McVol 237.990 ml/mol McGowan Calculated Property
Pc 1569.48 kPa Relay (... Calculated Property ⚠️
Tboil 665.17 K Relay (... Calculated Property
Tc 932.39 K Relay (... Calculated Property
Tfus 366.15 K Relay (... Calculated Property
Vc 0.894 m3/kmol Relay (... Calculated Property

Similar Compounds

(E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one. (E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undec-10-en-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. (2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,4,10-trien-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one. (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one. Maprotiline M(tri-HO), triacetylated. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Dimetindene M (nor, OH), acetylated. Glyceofuran, TMS. narwedine.

Find more compounds similar to (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one.

Sources

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