6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine

C8H12N2 — CID 145301479

IUPAC6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine
SMILESCN1CCC2=CC=NC2C1
InChIInChI=1S/C8H12N2/c1-10-5-3-7-2-4-9-8(7)6-10/h2,4,8H,3,5-6H2,1H3
InChIKeyOGFUIKIFMHVNNC-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.70
Rot. Bonds

About 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine

6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 145301479) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID145301479
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine
SMILESCN1CCC2=CC=NC2C1
InChIInChI=1S/C8H12N2/c1-10-5-3-7-2-4-9-8(7)6-10/h2,4,8H,3,5-6H2,1H3
InChIKeyOGFUIKIFMHVNNC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Piperidin-1-yl-2,3-dihydropyridine
CID 23356626
5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
6-Propan-2-yl-2,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 57531003
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755
4-[2-(2,3-Dihydropyridin-4-yl)ethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 91807105
5,6,7,7a-tetrahydro-4H-pyrrolo[2,3-c]pyridine
CID 129099368

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine (CID 145301479) is 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine is CN1CCC2=CC=NC2C1.
What is the InChIKey of 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is OGFUIKIFMHVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-5-3-7-2-4-9-8(7)6-10/h2,4,8H,3,5-6H2,1H3.
What are the key properties of 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine?
6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 136.20 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,7,7a-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145301479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).