1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one

C17H25NO — CID 55163489

IUPAC1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCCC2(C)C)cc1C
InChIInChI=1S/C17H25NO/c1-12-7-8-15(11-13(12)2)16(19)14(3)18-10-6-9-17(18,4)5/h7-8,11,14H,6,9-10H2,1-5H3
InChIKeyCIUFTSJAAFNOHU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.75
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one

1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 55163489) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one
PubChem CID55163489
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCCC2(C)C)cc1C
InChIInChI=1S/C17H25NO/c1-12-7-8-15(11-13(12)2)16(19)14(3)18-10-6-9-17(18,4)5/h7-8,11,14H,6,9-10H2,1-5H3
InChIKeyCIUFTSJAAFNOHU-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Alpha-Pyrrolidinopentiophenone
CID 11148955
Metamfepramone
CID 71872
Pyrovalerone
CID 14373
Naphyrone
CID 11243002
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
4-Methylethcathinone
CID 52988259
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
CID 65860
alpha-Pyrrolidinononanophenone
CID 69247748
alpha-PHP
CID 102107923
1-(2-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11311147

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one (CID 55163489) is 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one is Cc1ccc(C(=O)C(C)N2CCCC2(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is CIUFTSJAAFNOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-7-8-15(11-13(12)2)16(19)14(3)18-10-6-9-17(18,4)5/h7-8,11,14H,6,9-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one?
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 55163489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).