1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate

C15H19NO5 — CID 59180072

IUPAC1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate
SMILESCOC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CC(C)C2=O
InChIInChI=1S/C15H19NO5/c1-8-6-10-9(12(8)17)7-11(13(18)20-5)16(10)14(19)21-15(2,3)4/h7-8H,6H2,1-5H3
InChIKeyPYUDMPNJJFEYHL-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.43
Rot. Bonds1

About 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate (PubChem CID 59180072) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate
PubChem CID59180072
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate
SMILESCOC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CC(C)C2=O
InChIInChI=1S/C15H19NO5/c1-8-6-10-9(12(8)17)7-11(13(18)20-5)16(10)14(19)21-15(2,3)4/h7-8H,6H2,1-5H3
InChIKeyPYUDMPNJJFEYHL-UHFFFAOYSA-N
XLogP2.43
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate (CID 59180072) is 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate is COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CC(C)C2=O.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate?
The InChIKey is PYUDMPNJJFEYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-8-6-10-9(12(8)17)7-11(13(18)20-5)16(10)14(19)21-15(2,3)4/h7-8H,6H2,1-5H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 5-methyl-4-oxo-5,6-dihydrocyclopenta[b]pyrrole-1,2-dicarboxylate is sourced from PubChem (CID 59180072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).