2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone

C14H18INO — CID 79188459

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(I)cc2)CC1C
InChIInChI=1S/C14H18INO/c1-10-7-16(8-11(10)2)9-14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyMOXTYPUEPRBDPH-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.06
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone

2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone (PubChem CID 79188459) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
PubChem CID79188459
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(I)cc2)CC1C
InChIInChI=1S/C14H18INO/c1-10-7-16(8-11(10)2)9-14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyMOXTYPUEPRBDPH-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)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

2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 102960303
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 79187889
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 112626508
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62063801
4-[2-(4-iodophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083973
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
2-(4-butan-2-ylpiperazin-1-yl)-1-(4-iodophenyl)ethanone
CID 62774040
4-[2-(4-iodophenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
CID 66061810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone (CID 79188459) is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone is CC1CN(CC(=O)c2ccc(I)cc2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
The InChIKey is MOXTYPUEPRBDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-10-7-16(8-11(10)2)9-14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone has a molecular weight of 343.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 79188459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).