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

C7H10N2 — CID 158411994

IUPAC4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESC1=NCC2=C1CNCC2
InChIInChI=1S/C7H10N2/c1-2-8-4-7-5-9-3-6(1)7/h5,8H,1-4H2
InChIKeyRVSFUEKTQZTLHK-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.36
Rot. Bonds

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

4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 158411994) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID158411994
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESC1=NCC2=C1CNCC2
InChIInChI=1S/C7H10N2/c1-2-8-4-7-5-9-3-6(1)7/h5,8H,1-4H2
InChIKeyRVSFUEKTQZTLHK-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
CID 58117541
2,3,4,5-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 68044282
N-methyl-2-(2H-pyrrol-4-yl)ethanamine
CID 90161354
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
CID 123319751
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
1,2,3,4,7,8-Hexahydro-2,6-naphthyridine
CID 135180853
2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
CID 141392143
ethane;N-ethyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142338403
ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142384168
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384557
1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384558

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (CID 158411994) is 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is C1=NCC2=C1CNCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is RVSFUEKTQZTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-8-4-7-5-9-3-6(1)7/h5,8H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.36, 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-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158411994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).