3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one

C15H21NO — CID 82289362

IUPAC3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
SMILESCc1cccc(CCC(=O)C2CCCN2)c1C
InChIInChI=1S/C15H21NO/c1-11-5-3-6-13(12(11)2)8-9-15(17)14-7-4-10-16-14/h3,5-6,14,16H,4,7-10H2,1-2H3
InChIKeyVOTIIQUGTXTBIR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.56
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one

3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 82289362) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
PubChem CID82289362
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
SMILESCc1cccc(CCC(=O)C2CCCN2)c1C
InChIInChI=1S/C15H21NO/c1-11-5-3-6-13(12(11)2)8-9-15(17)14-7-4-10-16-14/h3,5-6,14,16H,4,7-10H2,1-2H3
InChIKeyVOTIIQUGTXTBIR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292100
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one (CID 82289362) is 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one is Cc1cccc(CCC(=O)C2CCCN2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one?
The InChIKey is VOTIIQUGTXTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-3-6-13(12(11)2)8-9-15(17)14-7-4-10-16-14/h3,5-6,14,16H,4,7-10H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one?
3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 82289362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).