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

C8H12N2 — CID 91085484

IUPAC6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
SMILESCC1CC=C2CCN=C2N1
InChIInChI=1S/C8H12N2/c1-6-2-3-7-4-5-9-8(7)10-6/h3,6H,2,4-5H2,1H3,(H,9,10)
InChIKeyOHQUCNGCYWTOAU-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds

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

6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine (PubChem CID 91085484) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
PubChem CID91085484
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
SMILESCC1CC=C2CCN=C2N1
InChIInChI=1S/C8H12N2/c1-6-2-3-7-4-5-9-8(7)10-6/h3,6H,2,4-5H2,1H3,(H,9,10)
InChIKeyOHQUCNGCYWTOAU-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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Related Compounds

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4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
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5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89260422
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2,6-dimethyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
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CID 90986067
4-(1-But-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine
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N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
6-methyl-4,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine (CID 91085484) is 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine is CC1CC=C2CCN=C2N1.
What is the InChIKey of 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is OHQUCNGCYWTOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-2-3-7-4-5-9-8(7)10-6/h3,6H,2,4-5H2,1H3,(H,9,10).
What are the key properties of 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-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 6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91085484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).