methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate

C9H8N2O3 — CID 71651114

IUPACmethyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NC(=O)C2
InChIInChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-4-7(12)11-8(5)10-6/h2-3H,4H2,1H3,(H,10,11,12)
InChIKeyJJASDLYRCPMUAM-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.36
Rot. Bonds1

About methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate

methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate (PubChem CID 71651114) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID71651114
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NC(=O)C2
InChIInChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-4-7(12)11-8(5)10-6/h2-3H,4H2,1H3,(H,10,11,12)
InChIKeyJJASDLYRCPMUAM-UHFFFAOYSA-N
XLogP0.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate (CID 71651114) is methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate is COC(=O)c1ccc2c(n1)NC(=O)C2.
What is the InChIKey of methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate?
The InChIKey is JJASDLYRCPMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-4-7(12)11-8(5)10-6/h2-3H,4H2,1H3,(H,10,11,12).
What are the key properties of methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate?
methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 71651114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).