3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

C9H12N2O — CID 71302980

IUPAC3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESCCOc1cnc2c(c1)CNC2
InChIInChI=1S/C9H12N2O/c1-2-12-8-3-7-4-10-6-9(7)11-5-8/h3,5,10H,2,4,6H2,1H3
InChIKeyAQRXSVVGSRSETQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.08
Rot. Bonds2

About 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (PubChem CID 71302980) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
PubChem CID71302980
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESCCOc1cnc2c(c1)CNC2
InChIInChI=1S/C9H12N2O/c1-2-12-8-3-7-4-10-6-9(7)11-5-8/h3,5,10H,2,4,6H2,1H3
InChIKeyAQRXSVVGSRSETQ-UHFFFAOYSA-N
XLogP1.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (CID 71302980) is 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is CCOc1cnc2c(c1)CNC2.
What is the InChIKey of 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The InChIKey is AQRXSVVGSRSETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-12-8-3-7-4-10-6-9(7)11-5-8/h3,5,10H,2,4,6H2,1H3.
What are the key properties of 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine has a molecular weight of 164.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 71302980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).