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

C9H14N2 — CID 58386446

IUPAC3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CN(C)CC2
InChIInChI=1S/C9H14N2/c1-7-9-6-11(2)4-3-8(9)5-10-7/h3-6H2,1-2H3
InChIKeyFZZITWWYUUZHJP-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.09
Rot. Bonds

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

3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 58386446) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID58386446
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CN(C)CC2
InChIInChI=1S/C9H14N2/c1-7-9-6-11(2)4-3-8(9)5-10-7/h3-6H2,1-2H3
InChIKeyFZZITWWYUUZHJP-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 58386446) is 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is CC1=NCC2=C1CN(C)CC2.
What is the InChIKey of 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is FZZITWWYUUZHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-9-6-11(2)4-3-8(9)5-10-7/h3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 58386446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).