2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

C15H21NO — CID 116580447

IUPAC2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCCN2)cc1
InChIInChI=1S/C15H21NO/c1-3-12-5-7-13(8-6-12)11-14(17)15(2)9-4-10-16-15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyJOPCJCBMWJIJKX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580447) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580447
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCCN2)cc1
InChIInChI=1S/C15H21NO/c1-3-12-5-7-13(8-6-12)11-14(17)15(2)9-4-10-16-15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyJOPCJCBMWJIJKX-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580447) is 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is CCc1ccc(CC(=O)C2(C)CCCN2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is JOPCJCBMWJIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-12-5-7-13(8-6-12)11-14(17)15(2)9-4-10-16-15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).