6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid

C26H29NO2 — CID 70188228

About 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid

6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid (PubChem CID 70188228) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid
• PubChem CID: 70188228
• Molecular Formula: C26H29NO2
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.22
• IUPAC Name: 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid
• SMILES: CC1(C)CCC(C)(C)c2cc(C34CC3CC=C4c3ccc(C(=O)O)cn3)ccc21
• InChI: InChI=1S/C26H29NO2/c1-24(2)11-12-25(3,4)21-13-17(6-8-19(21)24)26-14-18(26)7-9-20(26)22-10-5-16(15-27-22)23(28)29/h5-6,8-10,13,15,18H,7,11-12,14H2,1-4H3,(H,28,29)
• InChIKey: LVICAFRXODCBDL-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.52
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid?

The IUPAC name of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid (CID 70188228) is 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid is CC1(C)CCC(C)(C)c2cc(C34CC3CC=C4c3ccc(C(=O)O)cn3)ccc21.

What is the InChIKey of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid?

The InChIKey is LVICAFRXODCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-24(2)11-12-25(3,4)21-13-17(6-8-19(21)24)26-14-18(26)7-9-20(26)22-10-5-16(15-27-22)23(28)29/h5-6,8-10,13,15,18H,7,11-12,14H2,1-4H3,(H,28,29).

What are the key properties of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid?

6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid has a molecular weight of 387.52 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-bicyclo[3.1.0]hex-2-enyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 70188228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).