1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one

C17H21NO3 — CID 46990261

IUPAC1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(=O)N2CC=CC2CC)cc1
InChIInChI=1S/C17H21NO3/c1-3-14-6-5-11-18(14)17(20)12-21-15-9-7-13(8-10-15)16(19)4-2/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyIFCCVBCNWOJGNJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.84
Rot. Bonds6

About 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one

1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one (PubChem CID 46990261) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one
PubChem CID46990261
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(=O)N2CC=CC2CC)cc1
InChIInChI=1S/C17H21NO3/c1-3-14-6-5-11-18(14)17(20)12-21-15-9-7-13(8-10-15)16(19)4-2/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyIFCCVBCNWOJGNJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one 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

2-[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 95136113
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 134061611
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7494455
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 55564625
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
CID 38905055
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one (CID 46990261) is 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(=O)N2CC=CC2CC)cc1.
What is the InChIKey of 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
The InChIKey is IFCCVBCNWOJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-14-6-5-11-18(14)17(20)12-21-15-9-7-13(8-10-15)16(19)4-2/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one is sourced from PubChem (CID 46990261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).