6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C10H19FN2 — CID 102682072

IUPAC6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESFCCCN1CC2CCCNC2C1
InChIInChI=1S/C10H19FN2/c11-4-2-6-13-7-9-3-1-5-12-10(9)8-13/h9-10,12H,1-8H2
InChIKeyPHKCYPXYFMXSCQ-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.03
Rot. Bonds3

About 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102682072) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102682072
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESFCCCN1CC2CCCNC2C1
InChIInChI=1S/C10H19FN2/c11-4-2-6-13-7-9-3-1-5-12-10(9)8-13/h9-10,12H,1-8H2
InChIKeyPHKCYPXYFMXSCQ-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102682072) is 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is FCCCN1CC2CCCNC2C1.
What is the InChIKey of 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is PHKCYPXYFMXSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c11-4-2-6-13-7-9-3-1-5-12-10(9)8-13/h9-10,12H,1-8H2.
What are the key properties of 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 186.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102682072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).