1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine

C8H12N2 — CID 58207073

IUPAC1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
SMILESCN1CCCC2=C1CN=C2
InChIInChI=1S/C8H12N2/c1-10-4-2-3-7-5-9-6-8(7)10/h5H,2-4,6H2,1H3
InChIKeyOSKSRHOHBOYXFR-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.05
Rot. Bonds

About 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine

1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine (PubChem CID 58207073) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
PubChem CID58207073
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
SMILESCN1CCCC2=C1CN=C2
InChIInChI=1S/C8H12N2/c1-10-4-2-3-7-5-9-6-8(7)10/h5H,2-4,6H2,1H3
InChIKeyOSKSRHOHBOYXFR-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine (CID 58207073) is 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine is CN1CCCC2=C1CN=C2.
What is the InChIKey of 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
The InChIKey is OSKSRHOHBOYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-4-2-3-7-5-9-6-8(7)10/h5H,2-4,6H2,1H3.
What are the key properties of 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
1-methyl-2,3,4,7-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 1-methyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 58207073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).