5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine

C8H12N2 — CID 59559172

IUPAC5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCN1CCC2=C(C=NC2)C1
InChIInChI=1S/C8H12N2/c1-10-3-2-7-4-9-5-8(7)6-10/h5H,2-4,6H2,1H3
InChIKeyBEFLVDPERKQECY-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.70
Rot. Bonds

About 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine

5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 59559172) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID59559172
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCN1CCC2=C(C=NC2)C1
InChIInChI=1S/C8H12N2/c1-10-3-2-7-4-9-5-8(7)6-10/h5H,2-4,6H2,1H3
InChIKeyBEFLVDPERKQECY-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 59559172) is 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is CN1CCC2=C(C=NC2)C1.
What is the InChIKey of 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is BEFLVDPERKQECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-3-2-7-4-9-5-8(7)6-10/h5H,2-4,6H2,1H3.
What are the key properties of 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-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 5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 59559172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).