Chemical Properties of 2,3,5,6,7,8,9,10-Octahydro-1H-cycloocta[d]pyrrolo[1,2-a]pyrimidin-11-one

2,3,5,6,7,8,9,10-Octahydro-1H-cycloocta[d]pyrrolo[1,2-a]pyrimidin-11-one

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H18N2O/c16-13-10-6-3-1-2-4-7-11(10)14-12-8-5-9-15(12)13/h1-9H2
InChI Key
VQWFSSOZIUFWPZ-UHFFFAOYSA-N
Formula
C13H18N2O
SMILES
O=c1c2c(nc3n1CCC3)CCCCCC2
Molecular Weight1
218.29
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Physical Properties

Property Value Unit Source
ω 0.6037 Relay (... Calculated Property
ΔfG° 160.65 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -141.32 kJ/mol Relay (... Calculated Property
ΔvapH° 87.93 kJ/mol Relay (... Calculated Property
IE 8.57 eV Relay (... Calculated Property
log10WS -2.24 Relay (... Calculated Property
logPoct/wat 1.849 Crippen Calculated Property
McVol 174.380 ml/mol McGowan Calculated Property
Pc 2585.93 kPa Relay (... Calculated Property ⚠️
Inp 2117.00 NIST
Tboil 642.86 K Relay (... Calculated Property
Tc 910.14 K Relay (... Calculated Property
Tfus 466.45 K Relay (... Calculated Property
Vc 0.661 m3/kmol Relay (... Calculated Property

Similar Compounds

1,2,3,5,6,7,8,9-Octahydro-3a,10-diaza-cyclohepta[f]inden-4-one. 3H-Pyrimidin-4-one, 2,3-trimethyleno-5,6-tetramethyleno-6-methyl. 2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one. 1,2,3,4,6,7,8,9,10,11-Decahydro-4a,12-diaza-cycloocta[b]naphthalen-5-one. 1,2,3,4,5,7,8,9,10,11-Decahydro-5a,12-diaza-benzo[1,2;4,5]dicyclohepten-6-one. 2,3,4,5,7,8,9,10,11,12-Decahydro-1H-6,12a-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-13-one. 3H-Pyrimidin-4-one, 2,3:5,6-bis-hexamethyleno. 2,3,4,5,7,8,9,10,11,12-Decahydro-1H-5a,13-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-6-one. 1,2,3,4,6,7,8,9,10,11-Decahydro-5,11a-diaza-cycloocta[b]naphthalen-12-one. 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno. 2,3,5,6,7,8-Hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one. 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 6-methyl. 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 9-methyl. 1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one. 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno.

Find more compounds similar to 2,3,5,6,7,8,9,10-Octahydro-1H-cycloocta[d]pyrrolo[1,2-a]pyrimidin-11-one.

Sources

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