Chemical Properties of 1-Carbomethoxy-2,3-phthaloylpyrrocoline (CAS 98596-13-5)

1-Carbomethoxy-2,3-phthaloylpyrrocoline

InChI
InChI=1S/C18H11NO4/c1-23-18(22)13-12-8-4-5-9-19(12)15-14(13)16(20)10-6-2-3-7-11(10)17(15)21/h2-9H,1H3
InChI Key
HJDHYWBGLVTHKF-UHFFFAOYSA-N
Formula
C18H11NO4
SMILES
COC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
Molecular Weight1
305.28
CAS
98596-13-5
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Physical Properties

Property Value Unit Source
ω 0.7882 Relay (1.0) Calculated Property
ΔfG° -171.75 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -295.53 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.90 kJ/mol Relay (1.0) Calculated Property
IE 8.16 eV Relay (1.0) Calculated Property
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 2.501 Crippen Calculated Property
McVol 211.500 ml/mol McGowan Calculated Property
Pc 1874.18 kPa Relay (1.0-beta) Calculated Property
Tboil 709.95 K Relay (1.0) Calculated Property
Tc 1075.08 K Relay (1.0) Calculated Property
Tfus 481.48 K Relay (1.0) Calculated Property
Vc 0.801 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Carboethoxy-2,3-phthaloylpyrrocoline. 1-Acetyl-2,3-phthaloylpyrrocoline. 1-Phenylcarbamoyl-2,3-phthaloylpyrrocoline. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. 7-diacetylintermedine. 3'-Acetylheliosupine. 1-Phenylcarbamoyl-7-styryl-2,3-phthaloylpyrrocoline. Dehydrojaconine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. 13-Acetoxyanagyrine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Methyldesorphine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. 3-propionyl-morphine.

Find more compounds similar to 1-Carbomethoxy-2,3-phthaloylpyrrocoline.

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