(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate

C11H12N2O3 — CID 142739966

IUPAC(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate
SMILESCC(=O)Oc1c(C)nc2c(c1C)CC(=O)N2
InChIInChI=1S/C11H12N2O3/c1-5-8-4-9(15)13-11(8)12-6(2)10(5)16-7(3)14/h4H2,1-3H3,(H,12,13,15)
InChIKeyQJDDRKNCTRPJQN-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.12
Rot. Bonds1

About (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate

(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate (PubChem CID 142739966) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate.

Molecular Properties

Compound Name(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate
PubChem CID142739966
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate
SMILESCC(=O)Oc1c(C)nc2c(c1C)CC(=O)N2
InChIInChI=1S/C11H12N2O3/c1-5-8-4-9(15)13-11(8)12-6(2)10(5)16-7(3)14/h4H2,1-3H3,(H,12,13,15)
InChIKeyQJDDRKNCTRPJQN-UHFFFAOYSA-N
XLogP1.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate?
The IUPAC name of (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate (CID 142739966) is (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate.
What is the SMILES notation for (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate?
The canonical SMILES for (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate is CC(=O)Oc1c(C)nc2c(c1C)CC(=O)N2.
What is the InChIKey of (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate?
The InChIKey is QJDDRKNCTRPJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-5-8-4-9(15)13-11(8)12-6(2)10(5)16-7(3)14/h4H2,1-3H3,(H,12,13,15).
What are the key properties of (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate?
(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate has a molecular weight of 220.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate is sourced from PubChem (CID 142739966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).