3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C8H12N2 — CID 126628101

IUPAC3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCc1c[nH]c2c1NCCC2
InChIInChI=1S/C8H12N2/c1-6-5-10-7-3-2-4-9-8(6)7/h5,9-10H,2-4H2,1H3
InChIKeyFRZWHVTYMZRJAK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.68
Rot. Bonds

About 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 126628101) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID126628101
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCc1c[nH]c2c1NCCC2
InChIInChI=1S/C8H12N2/c1-6-5-10-7-3-2-4-9-8(6)7/h5,9-10H,2-4H2,1H3
InChIKeyFRZWHVTYMZRJAK-UHFFFAOYSA-N
XLogP1.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 126628101) is 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is Cc1c[nH]c2c1NCCC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is FRZWHVTYMZRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-5-10-7-3-2-4-9-8(6)7/h5,9-10H,2-4H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 136.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 126628101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).