6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C17H20N2 — CID 66770986

IUPAC6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESc1ccc2c(N3CC4CCCNC4C3)cccc2c1
InChIInChI=1S/C17H20N2/c1-2-8-15-13(5-1)6-3-9-17(15)19-11-14-7-4-10-18-16(14)12-19/h1-3,5-6,8-9,14,16,18H,4,7,10-12H2
InChIKeyOWTWQWYXGPSVRP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.03
Rot. Bonds1

About 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 66770986) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID66770986
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESc1ccc2c(N3CC4CCCNC4C3)cccc2c1
InChIInChI=1S/C17H20N2/c1-2-8-15-13(5-1)6-3-9-17(15)19-11-14-7-4-10-18-16(14)12-19/h1-3,5-6,8-9,14,16,18H,4,7,10-12H2
InChIKeyOWTWQWYXGPSVRP-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 66770986) is 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is c1ccc2c(N3CC4CCCNC4C3)cccc2c1.
What is the InChIKey of 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is OWTWQWYXGPSVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-8-15-13(5-1)6-3-9-17(15)19-11-14-7-4-10-18-16(14)12-19/h1-3,5-6,8-9,14,16,18H,4,7,10-12H2.
What are the key properties of 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 66770986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).