1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone

C17H25NO2 — CID 115667557

IUPAC1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCCC1CCN(CCOc2ccccc2C(C)=O)C1
InChIInChI=1S/C17H25NO2/c1-3-6-15-9-10-18(13-15)11-12-20-17-8-5-4-7-16(17)14(2)19/h4-5,7-8,15H,3,6,9-13H2,1-2H3
InChIKeyVRKWVTSZNLAPBV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds7

About 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone

1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 115667557) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
PubChem CID115667557
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCCC1CCN(CCOc2ccccc2C(C)=O)C1
InChIInChI=1S/C17H25NO2/c1-3-6-15-9-10-18(13-15)11-12-20-17-8-5-4-7-16(17)14(2)19/h4-5,7-8,15H,3,6,9-13H2,1-2H3
InChIKeyVRKWVTSZNLAPBV-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
CID 114800481
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469462
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone (CID 115667557) is 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone is CCCC1CCN(CCOc2ccccc2C(C)=O)C1.
What is the InChIKey of 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is VRKWVTSZNLAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-6-15-9-10-18(13-15)11-12-20-17-8-5-4-7-16(17)14(2)19/h4-5,7-8,15H,3,6,9-13H2,1-2H3.
What are the key properties of 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 115667557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).