4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine

C7H10N2 — CID 144707948

IUPAC4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine
SMILESC1=NC2=C(CC1)CNC2
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h3,8H,1-2,4-5H2
InChIKeyZMFCLRWYGDVKAJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.71
Rot. Bonds

About 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine

4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine (PubChem CID 144707948) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine
PubChem CID144707948
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine
SMILESC1=NC2=C(CC1)CNC2
InChIInChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h3,8H,1-2,4-5H2
InChIKeyZMFCLRWYGDVKAJ-UHFFFAOYSA-N
XLogP0.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 17858138
6-Methyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 58223119
3,4,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 68747047
4,5,6,7-tetrahydro-3H-pyrrolo[2,3-c]pyridine
CID 122434811
2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
CID 141392143
6-Methyl-3,4,5,7-tetrahydropyrrolo[3,4-b]pyridine
CID 147626798
N-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]propan-1-amine
CID 156421111
1,2,3,4,5,8-Hexahydro-1,7-naphthyridine
CID 173071577
1,2,3,4,5,8-Hexahydro-1,6-naphthyridine
CID 173071579
3,4,5,6,7,8-Hexahydro-1,7-naphthyridin-1-ium
CID 173071798
1,2,3,4,5,8-Hexahydro-1,7-naphthyridin-7-ium
CID 173072114
4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine
CID 157052418

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine (CID 144707948) is 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine is C1=NC2=C(CC1)CNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine?
The InChIKey is ZMFCLRWYGDVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-4-8-5-7(6)9-3-1/h3,8H,1-2,4-5H2.
What are the key properties of 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine?
4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 144707948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).