2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

C22H30N2O3 — CID 57276992

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 57276992) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
• PubChem CID: 57276992
• Molecular Formula: C22H30N2O3
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.23
• IUPAC Name: 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
• SMILES: COc1ccc2c(c1)CCC(CC(=O)N1CCC[C@@H]1C(=O)N1CCCC1)C2
• InChI: InChI=1S/C22H30N2O3/c1-27-19-9-8-17-13-16(6-7-18(17)15-19)14-21(25)24-12-4-5-20(24)22(26)23-10-2-3-11-23/h8-9,15-16,20H,2-7,10-14H2,1H3/t16?,20-/m1/s1
• InChIKey: OHMWGMWJGIFLKQ-OTOKDRCRSA-N
• XLogP: 2.80
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 57276992) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is COc1ccc2c(c1)CCC(CC(=O)N1CCC[C@@H]1C(=O)N1CCCC1)C2.

What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?

The InChIKey is OHMWGMWJGIFLKQ-OTOKDRCRSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-27-19-9-8-17-13-16(6-7-18(17)15-19)14-21(25)24-12-4-5-20(24)22(26)23-10-2-3-11-23/h8-9,15-16,20H,2-7,10-14H2,1H3/t16?,20-/m1/s1.

What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 370.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 57276992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).