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

C14H19NO — CID 110728198

IUPAC2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCC1C
InChIInChI=1S/C14H19NO/c1-11-6-3-4-8-13(11)10-14(16)15-9-5-7-12(15)2/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyQYFPOSZAXNOSJC-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.55
Rot. Bonds2

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

2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 110728198) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID110728198
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCC1C
InChIInChI=1S/C14H19NO/c1-11-6-3-4-8-13(11)10-14(16)15-9-5-7-12(15)2/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyQYFPOSZAXNOSJC-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 79539006
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
2-[(2S)-1-[2-(2-methylphenyl)acetyl]piperidin-2-yl]acetamide
CID 95293984
2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 134503396
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
2-[1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 126833568
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
(2R,3R)-2-methyl-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122115329
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone (CID 110728198) is 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone is Cc1ccccc1CC(=O)N1CCCC1C.
What is the InChIKey of 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is QYFPOSZAXNOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-3-4-8-13(11)10-14(16)15-9-5-7-12(15)2/h3-4,6,8,12H,5,7,9-10H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 110728198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).