2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one

C15H22N2O2 — CID 129418309

About 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one (PubChem CID 129418309) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 129418309
• Molecular Formula: C15H22N2O2
• Molecular Weight: 262.35 g/mol
• Exact Mass: 262.17
• IUPAC Name: 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1cccc(O[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1
• InChI: InChI=1S/C15H22N2O2/c1-11-6-5-7-13(16-11)19-12-8-9-17(10-12)14(18)15(2,3)4/h5-7,12H,8-10H2,1-4H3/t12-/m1/s1
• InChIKey: ZOHWYAJHTLPNJM-GFCCVEGCSA-N
• XLogP: 2.42
• TPSA: 42.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.35
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one (CID 129418309) is 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one is Cc1cccc(O[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1.

What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?

The InChIKey is ZOHWYAJHTLPNJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-5-7-13(16-11)19-12-8-9-17(10-12)14(18)15(2,3)4/h5-7,12H,8-10H2,1-4H3/t12-/m1/s1.

What are the key properties of 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one?

2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129418309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).