2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

C16H23NO2 — CID 63217349

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCCC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-12(17-11-5-10-16(17,2)3)15(18)13-6-8-14(19-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyNJMVRMLFICGTEB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds4

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

2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 63217349) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID63217349
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCCC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-12(17-11-5-10-16(17,2)3)15(18)13-6-8-14(19-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyNJMVRMLFICGTEB-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one
CID 55163489
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-(2,3-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62125367
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (CID 63217349) is 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N2CCCC2(C)C)cc1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is NJMVRMLFICGTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(17-11-5-10-16(17,2)3)15(18)13-6-8-14(19-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 63217349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).