1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine

C10H16N2 — CID 158307819

IUPAC1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)C1=NCC2=C1CCNC2
InChIInChI=1S/C10H16N2/c1-7(2)10-9-3-4-11-5-8(9)6-12-10/h7,11H,3-6H2,1-2H3
InChIKeyGEOBSTBZMOOMFE-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.39
Rot. Bonds1

About 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine

1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine (PubChem CID 158307819) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
PubChem CID158307819
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)C1=NCC2=C1CCNC2
InChIInChI=1S/C10H16N2/c1-7(2)10-9-3-4-11-5-8(9)6-12-10/h7,11H,3-6H2,1-2H3
InChIKeyGEOBSTBZMOOMFE-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine (CID 158307819) is 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine is CC(C)C1=NCC2=C1CCNC2.
What is the InChIKey of 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
The InChIKey is GEOBSTBZMOOMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10-9-3-4-11-5-8(9)6-12-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 164.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158307819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).