(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine

C8H12N2 — CID 134406617

IUPAC(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
SMILESC[C@H]1CC=C2CNCC2=N1
InChIInChI=1S/C8H12N2/c1-6-2-3-7-4-9-5-8(7)10-6/h3,6,9H,2,4-5H2,1H3/t6-/m0/s1
InChIKeyHJRKBTSDUQWNAI-LURJTMIESA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine

(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine (PubChem CID 134406617) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
PubChem CID134406617
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
SMILESC[C@H]1CC=C2CNCC2=N1
InChIInChI=1S/C8H12N2/c1-6-2-3-7-4-9-5-8(7)10-6/h3,6,9H,2,4-5H2,1H3/t6-/m0/s1
InChIKeyHJRKBTSDUQWNAI-LURJTMIESA-N
XLogP0.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine (CID 134406617) is (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine is C[C@H]1CC=C2CNCC2=N1.
What is the InChIKey of (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
The InChIKey is HJRKBTSDUQWNAI-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2/c1-6-2-3-7-4-9-5-8(7)10-6/h3,6,9H,2,4-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine?
(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 134406617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).