2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone

C19H21NO2 — CID 2908424

IUPAC2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO2/c1-22-18-9-7-15(8-10-18)13-19(21)20-12-11-17(14-20)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3
InChIKeyHGWAXQZDYGVXOK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone

2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 2908424) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID2908424
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO2/c1-22-18-9-7-15(8-10-18)13-19(21)20-12-11-17(14-20)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3
InChIKeyHGWAXQZDYGVXOK-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone (CID 2908424) is 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone is COc1ccc(CC(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is HGWAXQZDYGVXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-9-7-15(8-10-18)13-19(21)20-12-11-17(14-20)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 2908424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).