Chemical Properties of 4H-cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro

InChI

InChI=1S/C11H10N2O/c14-11-4-5-12-10-6-8-2-1-3-9(8)7-13(10)11/h4-7H,1-3H2

InChI Key

MHROBCSVBZFALM-UHFFFAOYSA-N

Formula

C11H10N2O

SMILES

O=c1ccnc2cc3c(cn12)CCC3

Molecular Weight¹

186.21

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 4H-cyclopenteno[2,3-e]pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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