2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone

C17H25NO2 — CID 64597172

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOCC1CCN(CC(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H25NO2/c1-12-7-13(2)17(14(3)8-12)16(19)10-18-6-5-15(9-18)11-20-4/h7-8,15H,5-6,9-11H2,1-4H3
InChIKeyVCDOQEABFVVXDM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.76
Rot. Bonds5

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 64597172) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID64597172
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOCC1CCN(CC(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H25NO2/c1-12-7-13(2)17(14(3)8-12)16(19)10-18-6-5-15(9-18)11-20-4/h7-8,15H,5-6,9-11H2,1-4H3
InChIKeyVCDOQEABFVVXDM-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115560594
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
2-[4-(methoxymethyl)piperidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63972915
4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
CID 94283320

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone (CID 64597172) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone is COCC1CCN(CC(=O)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is VCDOQEABFVVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-7-13(2)17(14(3)8-12)16(19)10-18-6-5-15(9-18)11-20-4/h7-8,15H,5-6,9-11H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 64597172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).