3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C9H12N2O — CID 70673555

IUPAC3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOCC1CNc2ncccc21
InChIInChI=1S/C9H12N2O/c1-12-6-7-5-11-9-8(7)3-2-4-10-9/h2-4,7H,5-6H2,1H3,(H,10,11)
InChIKeyUOZNLDHFVICRIK-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.24
Rot. Bonds2

About 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70673555) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70673555
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOCC1CNc2ncccc21
InChIInChI=1S/C9H12N2O/c1-12-6-7-5-11-9-8(7)3-2-4-10-9/h2-4,7H,5-6H2,1H3,(H,10,11)
InChIKeyUOZNLDHFVICRIK-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70673555) is 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is COCC1CNc2ncccc21.
What is the InChIKey of 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UOZNLDHFVICRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-6-7-5-11-9-8(7)3-2-4-10-9/h2-4,7H,5-6H2,1H3,(H,10,11).
What are the key properties of 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 164.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70673555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).