1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C₁₅H₂₁NO₂ — CID 42932809

About 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 42932809) has the molecular formula C₁₅H₂₁NO₂ and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
• PubChem CID: 42932809
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.34 g/mol
• Exact Mass: 247.16
• IUPAC Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
• SMILES: COc1ccc(C2CCCN2C(=O)C(C)C)cc1
• InChI: InChI=1S/C15H21NO2/c1-11(2)15(17)16-10-4-5-14(16)12-6-8-13(18-3)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3
• InChIKey: RKWKOHLOFVWDTR-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.34
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?

The IUPAC name of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 42932809) is 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

What is the SMILES notation for 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?

The canonical SMILES for 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is COc1ccc(C2CCCN2C(=O)C(C)C)cc1.

What is the InChIKey of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?

The InChIKey is RKWKOHLOFVWDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)15(17)16-10-4-5-14(16)12-6-8-13(18-3)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3.

What are the key properties of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?

1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 42932809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 42932809 — identifiers, structure, computed properties (public domain)

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