2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C8H12N2 — CID 134375896

IUPAC2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1CC2=NCCC=C2N1
InChIInChI=1S/C8H12N2/c1-6-5-8-7(10-6)3-2-4-9-8/h3,6,10H,2,4-5H2,1H3
InChIKeyDTEMMKJUKMCYCS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds

About 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine

2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 134375896) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID134375896
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1CC2=NCCC=C2N1
InChIInChI=1S/C8H12N2/c1-6-5-8-7(10-6)3-2-4-9-8/h3,6,10H,2,4-5H2,1H3
InChIKeyDTEMMKJUKMCYCS-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 134375896) is 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine is CC1CC2=NCCC=C2N1.
What is the InChIKey of 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is DTEMMKJUKMCYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-5-8-7(10-6)3-2-4-9-8/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 136.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 134375896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).