1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid

C10H10N2O3 — CID 167733667

IUPAC1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(=O)N1c2cccnc2CC1C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6(13)12-8-3-2-4-11-7(8)5-9(12)10(14)15/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyZGLDVBDMCLWAKF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.44
Rot. Bonds1

About 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid

1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 167733667) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID167733667
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(=O)N1c2cccnc2CC1C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6(13)12-8-3-2-4-11-7(8)5-9(12)10(14)15/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyZGLDVBDMCLWAKF-UHFFFAOYSA-N
XLogP0.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 167733667) is 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid is CC(=O)N1c2cccnc2CC1C(=O)O.
What is the InChIKey of 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is ZGLDVBDMCLWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(13)12-8-3-2-4-11-7(8)5-9(12)10(14)15/h2-4,9H,5H2,1H3,(H,14,15).
What are the key properties of 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid?
1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 167733667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).