2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one

C10H19BrN2O — CID 114328660

IUPAC2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCN(C)C1CCN(C(=O)C(C)(C)Br)C1
InChIInChI=1S/C10H19BrN2O/c1-10(2,11)9(14)13-6-5-8(7-13)12(3)4/h8H,5-7H2,1-4H3
InChIKeyVITDIQNZKKVMRC-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.32
Rot. Bonds2

About 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one

2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 114328660) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID114328660
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCN(C)C1CCN(C(=O)C(C)(C)Br)C1
InChIInChI=1S/C10H19BrN2O/c1-10(2,11)9(14)13-6-5-8(7-13)12(3)4/h8H,5-7H2,1-4H3
InChIKeyVITDIQNZKKVMRC-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-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

N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
2-bromo-1-(3-cyclopropylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 130871463
2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79814784
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 114328660) is 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one is CN(C)C1CCN(C(=O)C(C)(C)Br)C1.
What is the InChIKey of 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VITDIQNZKKVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-10(2,11)9(14)13-6-5-8(7-13)12(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one?
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 263.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 114328660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).