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

C8H12N2 — CID 12515082

IUPAC2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCn1cc2c(c1)CNCC2
InChIInChI=1S/C8H12N2/c1-10-5-7-2-3-9-4-8(7)6-10/h5-6,9H,2-4H2,1H3
InChIKeyCAZQCSJGEHUKBW-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.67
Rot. Bonds

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

2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 12515082) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID12515082
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCn1cc2c(c1)CNCC2
InChIInChI=1S/C8H12N2/c1-10-5-7-2-3-9-4-8(7)6-10/h5-6,9H,2-4H2,1H3
InChIKeyCAZQCSJGEHUKBW-UHFFFAOYSA-N
XLogP0.67
TPSA16.96 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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 12515082) is 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine is Cn1cc2c(c1)CNCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is CAZQCSJGEHUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-5-7-2-3-9-4-8(7)6-10/h5-6,9H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 136.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 12515082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).