tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate

C19H24N2O5 — CID 90281270

IUPACtert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
SMILESC=Cc1c(CC(=O)OCC)c2nc(OC)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O5/c1-7-13-12(11-16(22)25-8-2)17-14(9-10-15(20-17)24-6)21(13)18(23)26-19(3,4)5/h7,9-10H,1,8,11H2,2-6H3
InChIKeyKRTXFDREKBXZAF-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.58
Rot. Bonds5

About tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate

tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 90281270) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID90281270
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nametert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
SMILESC=Cc1c(CC(=O)OCC)c2nc(OC)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O5/c1-7-13-12(11-16(22)25-8-2)17-14(9-10-15(20-17)24-6)21(13)18(23)26-19(3,4)5/h7,9-10H,1,8,11H2,2-6H3
InChIKeyKRTXFDREKBXZAF-UHFFFAOYSA-N
XLogP3.58
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(2-ethoxy-2-oxoethyl)-2-(3-hydroxypropyl)pyrrolo[3,2-b]pyridine-1-carboxylate
CID 58542142
1-O-tert-butyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)indole-1,2-dicarboxylate
CID 59409118
tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
CID 144820320
ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 79474241
tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate
CID 144701085
ethyl 3-[3-(3,3-dimethylbutanoyl)-5-methoxy-1-methylpyrrolo[3,2-b]pyridin-2-yl]-2,2-dimethylpropanoate
CID 143445392
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388
ethyl 2-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]acetate
CID 66937785
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
potassium;tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate;tert-butyl 2-(2-ethoxy-2-oxoethyl)indole-1-carboxylate;deuteriomethanethiol;hydride;iodomethane
CID 158528986
tert-butyl 5-amino-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
CID 139827234

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate (CID 90281270) is tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate is C=Cc1c(CC(=O)OCC)c2nc(OC)ccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is KRTXFDREKBXZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-7-13-12(11-16(22)25-8-2)17-14(9-10-15(20-17)24-6)21(13)18(23)26-19(3,4)5/h7,9-10H,1,8,11H2,2-6H3.
What are the key properties of tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 90281270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).