Chemical Properties of (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one (CAS 117137-68-5)

(2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one

InChI
InChI=1S/C20H23NO3/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/h2,4-6,9-12,15H,1,3,7-8,13-14,16H2/b4-2+,9-5+,10-6+
InChI Key
XWQSYLYFCJTIEL-BTLPPRQPSA-N
Formula
C20H23NO3
SMILES
O=C(C=CC=CCCC=Cc1ccc2c(c1)OCO2)N1CCCC1
Molecular Weight1
325.40
CAS
117137-68-5
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Physical Properties

Property Value Unit Source
ω 0.7304 Relay (1.0) Calculated Property
ΔfG° 129.26 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -301.30 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 110.41 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -4.64 Relay (1.0) Calculated Property
logPoct/wat 3.943 Crippen Calculated Property
McVol 257.570 ml/mol McGowan Calculated Property
Pc 1498.34 kPa Relay (1.0-beta) Calculated Property
Inp [3280.30; 3280.30]   Show Hide
Inp 3280.30 NIST
Inp 3280.30 NIST
Tboil 676.13 K Relay (1.0) Calculated Property
Tc 956.56 K Relay (1.0) Calculated Property
Tfus 393.29 K Relay (1.0) Calculated Property
Vc 0.918 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-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,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one. Pyrrolidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-. Chavicine. Piperine. ethyl eburnamenine-14-carboxylate. inosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Benazepril Me. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

Find more compounds similar to (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one.

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