tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate

C28H36N4O8 — CID 162237733

IUPACtert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCOc1cc2c(cn1)N(C(=O)OC(C)(C)C)C(=O)C2.COc1cc2c(cn1)N(C(=O)OC(C)(C)C)C(=O)C2(C)C
InChIInChI=1S/C15H20N2O4.C13H16N2O4/c1-14(2,3)21-13(19)17-10-8-16-11(20-6)7-9(10)15(4,5)12(17)18;1-13(2,3)19-12(17)15-9-7-14-10(18-4)5-8(9)6-11(15)16/h7-8H,1-6H3;5,7H,6H2,1-4H3
InChIKeyZWHCZYTXAZAUIU-UHFFFAOYSA-N
MW556.62 g/mol
LogP4.56
Rot. Bonds2

About tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 162237733) has the molecular formula C28H36N4O8 and a molecular weight of 556.62 g/mol. Its IUPAC name is tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID162237733
Molecular FormulaC28H36N4O8
Molecular Weight556.62 g/mol
Exact Mass556.25
IUPAC Nametert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCOc1cc2c(cn1)N(C(=O)OC(C)(C)C)C(=O)C2.COc1cc2c(cn1)N(C(=O)OC(C)(C)C)C(=O)C2(C)C
InChIInChI=1S/C15H20N2O4.C13H16N2O4/c1-14(2,3)21-13(19)17-10-8-16-11(20-6)7-9(10)15(4,5)12(17)18;1-13(2,3)19-12(17)15-9-7-14-10(18-4)5-8(9)6-11(15)16/h7-8H,1-6H3;5,7H,6H2,1-4H3
InChIKeyZWHCZYTXAZAUIU-UHFFFAOYSA-N
XLogP4.56
TPSA137.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.62
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate (CID 162237733) is tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate is COc1cc2c(cn1)N(C(=O)OC(C)(C)C)C(=O)C2.COc1cc2c(cn1)N(C(=O)OC(C)(C)C)C(=O)C2(C)C.
What is the InChIKey of tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is ZWHCZYTXAZAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.C13H16N2O4/c1-14(2,3)21-13(19)17-10-8-16-11(20-6)7-9(10)15(4,5)12(17)18;1-13(2,3)19-12(17)15-9-7-14-10(18-4)5-8(9)6-11(15)16/h7-8H,1-6H3;5,7H,6H2,1-4H3.
What are the key properties of tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 556.62 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methoxy-3,3-dimethyl-2-oxopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-methoxy-2-oxo-3H-pyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 162237733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).