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

C17H17NO7 — CID 3647164

IUPACdimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)OC(c2ccccc2)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C17H17NO7/c1-18-13(19)10-11(14(18)20)17(15(21)23-2,16(22)24-3)25-12(10)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3
InChIKeyVOFSOBQKBSDSOY-UHFFFAOYSA-N
MW347.32 g/mol
LogP0.07
Rot. Bonds3

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

dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate (PubChem CID 3647164) has the molecular formula C17H17NO7 and a molecular weight of 347.32 g/mol. Its IUPAC name is dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
PubChem CID3647164
Molecular FormulaC17H17NO7
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Namedimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)OC(c2ccccc2)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C17H17NO7/c1-18-13(19)10-11(14(18)20)17(15(21)23-2,16(22)24-3)25-12(10)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3
InChIKeyVOFSOBQKBSDSOY-UHFFFAOYSA-N
XLogP0.07
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 1-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
CID 4238890
tert-butyl (2S,3S,4S,5R)-2-benzyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71733319
ethyl (2S,3S,4S,5R)-2-benzyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71734648
ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71734738
methyl (2S,3S,4S,5R)-2-benzyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71734826
6-ethoxy-2-methyl-7-(2-phenylethyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 135063080
6-methoxy-2-methyl-7-(2-phenylethyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 135063456
ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
CID 135067175
ethyl (2R,3S,4S,5R)-3-ethyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
CID 135067782
ethyl (2R,3S,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyl-3-propyloxolane-2-carboxylate
CID 135067792
ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate
CID 135067793
ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate
CID 135067994

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
The IUPAC name of dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate (CID 3647164) is dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
The canonical SMILES for dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate is COC(=O)C1(C(=O)OC)OC(c2ccccc2)C2C(=O)N(C)C(=O)C21.
What is the InChIKey of dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
The InChIKey is VOFSOBQKBSDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO7/c1-18-13(19)10-11(14(18)20)17(15(21)23-2,16(22)24-3)25-12(10)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3.
What are the key properties of dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate?
dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate has a molecular weight of 347.32 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate is sourced from PubChem (CID 3647164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).