Chemical Properties of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno

InChI
InChI=1S/C12H16N2O/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12/h1-8H2
InChI Key
SPMNQNOXHNXYSJ-UHFFFAOYSA-N
Formula
C12H16N2O
SMILES
O=c1c2c(nc3n1CCCCC3)CCC2
Molecular Weight1
204.27
Other Names
  • 1,2,3,5,6,7,8,9-Octahydro-4,9a-diaza-cyclohepta[f]inden-10-one
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Physical Properties

Property Value Unit Source
ω 0.6042 Relay (1.0) Calculated Property
ΔfG° 150.12 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -113.73 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 84.69 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -1.79 Relay (1.0) Calculated Property
logPoct/wat 1.458 Crippen Calculated Property
McVol 160.290 ml/mol McGowan Calculated Property
Pc 2813.37 kPa Relay (1.0-beta) Calculated Property
Inp [2003.00; 2003.00]   Show Hide
Inp 2003.00 NIST
Inp 2003.00 NIST
Inp 2003.00 NIST
Tboil 629.43 K Relay (1.0) Calculated Property
Tc 898.35 K Relay (1.0) Calculated Property
Tfus 483.24 K Relay (1.0) Calculated Property
Vc 0.617 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1,8-Diaza-tricyclo[7.6.0.0*3,7*]pentadeca-3(7),8-dien-2-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. 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. 3H-Pyrimidin-4-one, 2,3:5,6-bis-hexamethyleno. 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-tetramethyleno-5,6-trimethyleno. 1,2,3,4,6,7,8,9,10,11-Decahydro-4a,12-diaza-cycloocta[b]naphthalen-5-one. 1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-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. 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.

Find more compounds similar to 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno.

Sources

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