dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate

C18H19NO8 — CID 4238890

IUPACdimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)OC(c2ccc(OC)cc2)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C18H19NO8/c1-19-14(20)11-12(15(19)21)18(16(22)25-3,17(23)26-4)27-13(11)9-5-7-10(24-2)8-6-9/h5-8,11-13H,1-4H3
InChIKeyBABFQGSVMPHVNB-UHFFFAOYSA-N
MW377.35 g/mol
LogP0.08
Rot. Bonds4

About dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate

dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate (PubChem CID 4238890) has the molecular formula C18H19NO8 and a molecular weight of 377.35 g/mol. Its IUPAC name is dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
PubChem CID4238890
Molecular FormulaC18H19NO8
Molecular Weight377.35 g/mol
Exact Mass377.11
IUPAC Namedimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)OC(c2ccc(OC)cc2)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C18H19NO8/c1-19-14(20)11-12(15(19)21)18(16(22)25-3,17(23)26-4)27-13(11)9-5-7-10(24-2)8-6-9/h5-8,11-13H,1-4H3
InChIKeyBABFQGSVMPHVNB-UHFFFAOYSA-N
XLogP0.08
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
The IUPAC name of dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate (CID 4238890) is dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate is COC(=O)C1(C(=O)OC)OC(c2ccc(OC)cc2)C2C(=O)N(C)C(=O)C21.
What is the InChIKey of dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
The InChIKey is BABFQGSVMPHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO8/c1-19-14(20)11-12(15(19)21)18(16(22)25-3,17(23)26-4)27-13(11)9-5-7-10(24-2)8-6-9/h5-8,11-13H,1-4H3.
What are the key properties of dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate has a molecular weight of 377.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate is sourced from PubChem (CID 4238890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).