2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone

C15H21NO3 — CID 112788345

IUPAC2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
SMILESCCCOc1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C15H21NO3/c1-2-11-18-13-7-3-4-8-14(13)19-12-15(17)16-9-5-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyKCBPKDQIVZJQNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds6

About 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone

2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 112788345) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID112788345
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
SMILESCCCOc1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C15H21NO3/c1-2-11-18-13-7-3-4-8-14(13)19-12-15(17)16-9-5-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyKCBPKDQIVZJQNY-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone 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-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 24691151
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108544654
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone (CID 112788345) is 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone is CCCOc1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is KCBPKDQIVZJQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-11-18-13-7-3-4-8-14(13)19-12-15(17)16-9-5-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone?
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112788345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).