6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine

C8H12N2 — CID 147626798

IUPAC6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine
SMILESCN1CC2=C(C1)N=CCC2
InChIInChI=1S/C8H12N2/c1-10-5-7-3-2-4-9-8(7)6-10/h4H,2-3,5-6H2,1H3
InChIKeyGEYDQZALZLXUKY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.05
Rot. Bonds

About 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine

6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine (PubChem CID 147626798) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine
PubChem CID147626798
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine
SMILESCN1CC2=C(C1)N=CCC2
InChIInChI=1S/C8H12N2/c1-10-5-7-3-2-4-9-8(7)6-10/h4H,2-3,5-6H2,1H3
InChIKeyGEYDQZALZLXUKY-UHFFFAOYSA-N
XLogP1.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
CID 71437659
5,6-Dimethyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 22954785
1-Methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
CID 58207073
6-Methyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 58223119
5-Methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58223136
1-Tert-butyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
CID 59140368
1-Ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
CID 67124147
6-Propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 122434810
2-Methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 131997933
2-Methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 131997936
4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine
CID 144707948
N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 170635802

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine (CID 147626798) is 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine is CN1CC2=C(C1)N=CCC2.
What is the InChIKey of 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine?
The InChIKey is GEYDQZALZLXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-5-7-3-2-4-9-8(7)6-10/h4H,2-3,5-6H2,1H3.
What are the key properties of 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine?
6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine has a molecular weight of 136.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 147626798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).