2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

C9H15Cl2NO2 — CID 110022839

IUPAC2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(C(=O)C(C)(Cl)Cl)C1
InChIInChI=1S/C9H15Cl2NO2/c1-6(13)7-3-4-12(5-7)8(14)9(2,10)11/h6-7,13H,3-5H2,1-2H3
InChIKeyGBEAXRKXEBLLPY-UHFFFAOYSA-N
MW240.13 g/mol
LogP1.41
Rot. Bonds2

About 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110022839) has the molecular formula C9H15Cl2NO2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110022839
Molecular FormulaC9H15Cl2NO2
Molecular Weight240.13 g/mol
Exact Mass239.05
IUPAC Name2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(C(=O)C(C)(Cl)Cl)C1
InChIInChI=1S/C9H15Cl2NO2/c1-6(13)7-3-4-12(5-7)8(14)9(2,10)11/h6-7,13H,3-5H2,1-2H3
InChIKeyGBEAXRKXEBLLPY-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-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-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]but-2-yn-1-one
CID 107989624
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
2-(3-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110023182
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115966039
3-[4-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanethioamide
CID 106835948
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 131070818
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (CID 110022839) is 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is CC(O)C1CCN(C(=O)C(C)(Cl)Cl)C1.
What is the InChIKey of 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is GBEAXRKXEBLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO2/c1-6(13)7-3-4-12(5-7)8(14)9(2,10)11/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 240.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110022839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).