2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one

C9H15Cl2NO — CID 130667060

IUPAC2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(Cl)Cl)C1C
InChIInChI=1S/C9H15Cl2NO/c1-6-4-5-12(7(6)2)8(13)9(3,10)11/h6-7H,4-5H2,1-3H3
InChIKeyYIFSDPMKQBSFCO-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.44
Rot. Bonds1

About 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one

2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 130667060) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one
PubChem CID130667060
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(Cl)Cl)C1C
InChIInChI=1S/C9H15Cl2NO/c1-6-4-5-12(7(6)2)8(13)9(3,10)11/h6-7H,4-5H2,1-3H3
InChIKeyYIFSDPMKQBSFCO-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)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-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038145
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119343810
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130557857
oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
CID 170767880
N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
CID 126989361
2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal
CID 131187031
(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 124681873
2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
CID 62124809

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one (CID 130667060) is 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)(Cl)Cl)C1C.
What is the InChIKey of 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is YIFSDPMKQBSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-6-4-5-12(7(6)2)8(13)9(3,10)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one?
2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 224.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 130667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).