1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone

C17H25NO2 — CID 83136835

IUPAC1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
SMILESCCC1CCC(C)N1Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C17H25NO2/c1-5-16-8-6-12(2)18(16)11-15-10-14(13(3)19)7-9-17(15)20-4/h7,9-10,12,16H,5-6,8,11H2,1-4H3
InChIKeyDSDCKPGDYLGKGJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.66
Rot. Bonds5

About 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone

1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone (PubChem CID 83136835) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
PubChem CID83136835
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
SMILESCCC1CCC(C)N1Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C17H25NO2/c1-5-16-8-6-12(2)18(16)11-15-10-14(13(3)19)7-9-17(15)20-4/h7,9-10,12,16H,5-6,8,11H2,1-4H3
InChIKeyDSDCKPGDYLGKGJ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 83219096
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzoic acid
CID 83221179
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 64980172
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone (CID 83136835) is 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone is CCC1CCC(C)N1Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is DSDCKPGDYLGKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-16-8-6-12(2)18(16)11-15-10-14(13(3)19)7-9-17(15)20-4/h7,9-10,12,16H,5-6,8,11H2,1-4H3.
What are the key properties of 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 83136835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).