6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine

C9H14N2O — CID 142993187

IUPAC6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine
SMILESCOC1C=C2NCCC2=CN1C
InChIInChI=1S/C9H14N2O/c1-11-6-7-3-4-10-8(7)5-9(11)12-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyJEEKPLMBKJXRHJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.67
Rot. Bonds1

About 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine

6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 142993187) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID142993187
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine
SMILESCOC1C=C2NCCC2=CN1C
InChIInChI=1S/C9H14N2O/c1-11-6-7-3-4-10-8(7)5-9(11)12-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyJEEKPLMBKJXRHJ-UHFFFAOYSA-N
XLogP0.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine (CID 142993187) is 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine is COC1C=C2NCCC2=CN1C.
What is the InChIKey of 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is JEEKPLMBKJXRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-6-7-3-4-10-8(7)5-9(11)12-2/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine?
6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 166.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-1,2,3,6-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 142993187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).