2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone

C15H21NO — CID 116570098

IUPAC2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2(C)CCNC2)c1
InChIInChI=1S/C15H21NO/c1-11-4-5-12(2)13(8-11)9-14(17)15(3)6-7-16-10-15/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyBKTFPTLCUWMXSG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.41
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone

2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone (PubChem CID 116570098) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
PubChem CID116570098
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2(C)CCNC2)c1
InChIInChI=1S/C15H21NO/c1-11-4-5-12(2)13(8-11)9-14(17)15(3)6-7-16-10-15/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyBKTFPTLCUWMXSG-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone
CID 116598569
6-[(2,5-dimethylphenyl)methyl]-6-methyl-1,4-diazepane
CID 82475397
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate
CID 59562754
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706051
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone (CID 116570098) is 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone is Cc1ccc(C)c(CC(=O)C2(C)CCNC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone?
The InChIKey is BKTFPTLCUWMXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-4-5-12(2)13(8-11)9-14(17)15(3)6-7-16-10-15/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).