3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

C8H12N2 — CID 159866284

IUPAC3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CNCC2
InChIInChI=1S/C8H12N2/c1-6-8-5-9-3-2-7(8)4-10-6/h9H,2-5H2,1H3
InChIKeyNRTPWFMXRWWDOV-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 159866284) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID159866284
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CNCC2
InChIInChI=1S/C8H12N2/c1-6-8-5-9-3-2-7(8)4-10-6/h9H,2-5H2,1H3
InChIKeyNRTPWFMXRWWDOV-UHFFFAOYSA-N
XLogP0.75
TPSA24.39 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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 58386446
2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
CID 90161353
2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
CID 123319751
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
(2S)-2-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
CID 134406617
N,4,5-trimethyl-1,2-dihydropyrrol-3-imine
CID 139338572
(5-Ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
CID 149065720
4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 158411994
4-Methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 159190298
(5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine
CID 159281232
2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine
CID 161028820
Ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 178148756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (CID 159866284) is 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is CC1=NCC2=C1CNCC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is NRTPWFMXRWWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-8-5-9-3-2-7(8)4-10-6/h9H,2-5H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 159866284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).