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

C15H23N3O — CID 103198297

IUPAC1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCC(C)Oc1cccnc1N1CCCC2CNCC21
InChIInChI=1S/C15H23N3O/c1-11(2)19-14-6-3-7-17-15(14)18-8-4-5-12-9-16-10-13(12)18/h3,6-7,11-13,16H,4-5,8-10H2,1-2H3
InChIKeyFJZZZEKCNQXNJZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds3

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

1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 103198297) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID103198297
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCC(C)Oc1cccnc1N1CCCC2CNCC21
InChIInChI=1S/C15H23N3O/c1-11(2)19-14-6-3-7-17-15(14)18-8-4-5-12-9-16-10-13(12)18/h3,6-7,11-13,16H,4-5,8-10H2,1-2H3
InChIKeyFJZZZEKCNQXNJZ-UHFFFAOYSA-N
XLogP2.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 103198297) is 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is CC(C)Oc1cccnc1N1CCCC2CNCC21.
What is the InChIKey of 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is FJZZZEKCNQXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)19-14-6-3-7-17-15(14)18-8-4-5-12-9-16-10-13(12)18/h3,6-7,11-13,16H,4-5,8-10H2,1-2H3.
What are the key properties of 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 261.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxy-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 103198297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).