methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

C17H19FN2O4 — CID 653820

IUPACmethyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
SMILESCCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C17H19FN2O4/c1-4-17(16(23)24-3)12-11(14(21)20(2)15(12)22)13(19-17)9-6-5-7-10(18)8-9/h5-8,11-13,19H,4H2,1-3H3
InChIKeyMNQANYLTQZFWNZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.02
Rot. Bonds3

About methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate (PubChem CID 653820) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
PubChem CID653820
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namemethyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
SMILESCCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C17H19FN2O4/c1-4-17(16(23)24-3)12-11(14(21)20(2)15(12)22)13(19-17)9-6-5-7-10(18)8-9/h5-8,11-13,19H,4H2,1-3H3
InChIKeyMNQANYLTQZFWNZ-UHFFFAOYSA-N
XLogP1.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
The IUPAC name of methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate (CID 653820) is methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
The canonical SMILES for methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate is CCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(C)C(=O)C21.
What is the InChIKey of methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
The InChIKey is MNQANYLTQZFWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-4-17(16(23)24-3)12-11(14(21)20(2)15(12)22)13(19-17)9-6-5-7-10(18)8-9/h5-8,11-13,19H,4H2,1-3H3.
What are the key properties of methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1-(3-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate is sourced from PubChem (CID 653820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).