1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone

C15H21NO — CID 110671107

IUPAC1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCCC1CCCN1C(=O)Cc1ccccc1C
InChIInChI=1S/C15H21NO/c1-3-14-9-6-10-16(14)15(17)11-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3
InChIKeySBARCXPMIKGKON-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone

1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 110671107) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID110671107
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCCC1CCCN1C(=O)Cc1ccccc1C
InChIInChI=1S/C15H21NO/c1-3-14-9-6-10-16(14)15(17)11-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3
InChIKeySBARCXPMIKGKON-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
2-[(2S)-1-[2-(2-methylphenyl)acetyl]piperidin-2-yl]acetamide
CID 95293984
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 79539006
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 7346087
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 124569843
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone (CID 110671107) is 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone is CCC1CCCN1C(=O)Cc1ccccc1C.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is SBARCXPMIKGKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-14-9-6-10-16(14)15(17)11-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone?
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 110671107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).