ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate

C11H10N2O4 — CID 15744738

IUPACethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
SMILESCCOC(=O)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H10N2O4/c1-2-17-8(14)6-13-10(15)7-4-3-5-12-9(7)11(13)16/h3-5H,2,6H2,1H3
InChIKeyMVKZRHYHUMVGEY-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.24
Rot. Bonds3

About ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate

ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate (PubChem CID 15744738) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
PubChem CID15744738
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Nameethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
SMILESCCOC(=O)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H10N2O4/c1-2-17-8(14)6-13-10(15)7-4-3-5-12-9(7)11(13)16/h3-5H,2,6H2,1H3
InChIKeyMVKZRHYHUMVGEY-UHFFFAOYSA-N
XLogP0.24
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484
2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetic acid
CID 101269031
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265
6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201855
N-(3-chloro-2-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201908
methyl 2-[[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]benzoate
CID 113201934
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
N-(3-bromo-4-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201916
ethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 698673
N-[4-(dimethylamino)phenyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201938
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylbutanoic acid
CID 80540196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate?
The IUPAC name of ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate (CID 15744738) is ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate?
The canonical SMILES for ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate is CCOC(=O)CN1C(=O)c2cccnc2C1=O.
What is the InChIKey of ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate?
The InChIKey is MVKZRHYHUMVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-8(14)6-13-10(15)7-4-3-5-12-9(7)11(13)16/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate?
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate has a molecular weight of 234.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate is sourced from PubChem (CID 15744738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).