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

C17H24N2 — CID 102678082

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESc1ccc2c(c1)CCCC2N1CCCC2CNCC21
InChIInChI=1S/C17H24N2/c1-2-8-15-13(5-1)6-3-9-16(15)19-10-4-7-14-11-18-12-17(14)19/h1-2,5,8,14,16-18H,3-4,6-7,9-12H2
InChIKeyJQSWWUOGZXKXFE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.75
Rot. Bonds1

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

1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678082) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678082
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESc1ccc2c(c1)CCCC2N1CCCC2CNCC21
InChIInChI=1S/C17H24N2/c1-2-8-15-13(5-1)6-3-9-16(15)19-10-4-7-14-11-18-12-17(14)19/h1-2,5,8,14,16-18H,3-4,6-7,9-12H2
InChIKeyJQSWWUOGZXKXFE-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677859
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 102726652
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65320050
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 134279503
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316740
4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244157
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82958621
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 65056165

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678082) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is c1ccc2c(c1)CCCC2N1CCCC2CNCC21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is JQSWWUOGZXKXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-8-15-13(5-1)6-3-9-16(15)19-10-4-7-14-11-18-12-17(14)19/h1-2,5,8,14,16-18H,3-4,6-7,9-12H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 256.39 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).