Chemical Properties of 2,3,4,5,7,8,9,10,11,12-Decahydro-1H-5a,13-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-6-one

2,3,4,5,7,8,9,10,11,12-Decahydro-1H-5a,13-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-6-one

InChI
InChI=1S/C15H22N2O/c18-15-12-8-4-1-2-5-9-13(12)16-14-10-6-3-7-11-17(14)15/h1-11H2
InChI Key
XXXSHXCCZQCCLR-UHFFFAOYSA-N
Formula
C15H22N2O
SMILES
O=c1c2c(nc3n1CCCCC3)CCCCCC2
Molecular Weight1
246.35
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Physical Properties

Property Value Unit Source
ω 0.6163 Relay (1.0) Calculated Property
ΔfG° 179.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -189.14 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 94.10 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -2.84 Relay (1.0) Calculated Property
logPoct/wat 2.629 Crippen Calculated Property
McVol 202.560 ml/mol McGowan Calculated Property
Pc 2210.63 kPa Relay (1.0-beta) Calculated Property
Inp [2226.00; 2226.00]   Show Hide
Inp 2226.00 NIST
Inp 2226.00 NIST
Tboil 667.02 K Relay (1.0) Calculated Property
Tc 934.82 K Relay (1.0) Calculated Property
Tfus 482.55 K Relay (1.0) Calculated Property
Vc 0.746 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3H-Pyrimidin-4-one, 2,3:5,6-bis-hexamethyleno. 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno. 1,2,3,4,6,7,8,9,10,11-Decahydro-5,11a-diaza-cycloocta[b]naphthalen-12-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. 1,2,3,4,5,7,8,9,10,11-Decahydro-5a,12-diaza-benzo[1,2;4,5]dicyclohepten-6-one. 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno. 1,8-Diaza-tricyclo[7.6.0.0*3,7*]pentadeca-3(7),8-dien-2-one. 1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one. 1,2,3,4,6,7,8,9,10,11-Decahydro-4a,12-diaza-cycloocta[b]naphthalen-5-one. 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 9-methyl. 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 6-methyl. 2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one. 11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4,6,7,8,9-octahydro, 7-methyl. 2,3,5,6,7,8,9,10-Octahydro-1H-cycloocta[d]pyrrolo[1,2-a]pyrimidin-11-one. 3H-Pyrimidin-4-one, 2,3-tetramethyleno-5,6-trimethyleno.

Find more compounds similar to 2,3,4,5,7,8,9,10,11,12-Decahydro-1H-5a,13-diaza-cyclohepta[4,5]benzo[1,2]cycloocten-6-one.

Sources

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