2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone

C17H25NO — CID 106976659

IUPAC2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)cccc2C)CCCN1
InChIInChI=1S/C17H25NO/c1-4-9-17(10-6-11-18-17)16(19)12-15-13(2)7-5-8-14(15)3/h5,7-8,18H,4,6,9-12H2,1-3H3
InChIKeyCJQBMTGFKVVSTA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.34
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone

2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976659) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976659
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)cccc2C)CCCN1
InChIInChI=1S/C17H25NO/c1-4-9-17(10-6-11-18-17)16(19)12-15-13(2)7-5-8-14(15)3/h5,7-8,18H,4,6,9-12H2,1-3H3
InChIKeyCJQBMTGFKVVSTA-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976659) is 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)Cc2c(C)cccc2C)CCCN1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is CJQBMTGFKVVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-9-17(10-6-11-18-17)16(19)12-15-13(2)7-5-8-14(15)3/h5,7-8,18H,4,6,9-12H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).