Chemical Properties of (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one (CAS 62510-52-5)

(E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one

InChI
InChI=1S/C20H27NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+
InChI Key
VBHDFZGBKBFFDM-WEVVVXLNSA-N
Formula
C20H27NO3
SMILES
O=C(CCCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1
Molecular Weight1
329.43
CAS
62510-52-5
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Physical Properties

Property Value Unit Source
ω 0.8747 Relay (1.0) Calculated Property
ΔfG° 44.96 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -467.34 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.28 kJ/mol Relay (1.0) Calculated Property
IE 7.63 eV Relay (1.0) Calculated Property
log10WS -4.43 Relay (1.0) Calculated Property
logPoct/wat 4.392 Crippen Calculated Property
McVol 266.170 ml/mol McGowan Calculated Property
Pc 1325.30 kPa Relay (1.0-beta) Calculated Property
Inp [3100.20; 3100.20]   Show Hide
Inp 3100.20 NIST
Inp 3100.20 NIST
Tboil 677.26 K Relay (1.0) Calculated Property
Tc 946.82 K Relay (1.0) Calculated Property
Tfus 367.29 K Relay (1.0) Calculated Property
Vc 1.003 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-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. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-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,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)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one.

Sources

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