methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

C18H21FN2O4 — CID 90109022

IUPACmethyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)C1(C)CC2C(=O)N(C)C(C)C(=O)N2C1c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4/c1-10-15(22)21-13(16(23)20(10)3)9-18(2,17(24)25-4)14(21)11-5-7-12(19)8-6-11/h5-8,10,13-14H,9H2,1-4H3
InChIKeyXUXKOXUUFFASBX-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.51
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 90109022) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID90109022
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Namemethyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)C1(C)CC2C(=O)N(C)C(C)C(=O)N2C1c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4/c1-10-15(22)21-13(16(23)20(10)3)9-18(2,17(24)25-4)14(21)11-5-7-12(19)8-6-11/h5-8,10,13-14H,9H2,1-4H3
InChIKeyXUXKOXUUFFASBX-UHFFFAOYSA-N
XLogP1.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

CID 132461761
CID 132461761
CID 134786475
CID 134786475
CID 134786611
CID 134786611
CID 42402923
CID 42402923
CID 42566120
CID 42566120
CID 45220518
CID 45220518
CID 56740974
CID 56740974
CID 19709476
CID 19709476
CID 19709645
CID 19709645
CID 19709651
CID 19709651
CID 66917805
CID 66917805
CID 86751934
CID 86751934

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 90109022) is methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate is COC(=O)C1(C)CC2C(=O)N(C)C(C)C(=O)N2C1c1ccc(F)cc1.
What is the InChIKey of methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is XUXKOXUUFFASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-10-15(22)21-13(16(23)20(10)3)9-18(2,17(24)25-4)14(21)11-5-7-12(19)8-6-11/h5-8,10,13-14H,9H2,1-4H3.
What are the key properties of methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 348.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90109022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).