1-[(3R)-3-bromopyrrolidin-1-yl]ethanone

C6H10BrNO — CID 66569138

IUPAC1-[(3R)-3-bromopyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Br)C1
InChIInChI=1S/C6H10BrNO/c1-5(9)8-3-2-6(7)4-8/h6H,2-4H2,1H3/t6-/m1/s1
InChIKeyPWZFFFSSNKQIFL-ZCFIWIBFSA-N
MW192.06 g/mol
LogP1.00
Rot. Bonds

About 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone

1-[(3R)-3-bromopyrrolidin-1-yl]ethanone (PubChem CID 66569138) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-bromopyrrolidin-1-yl]ethanone
PubChem CID66569138
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name1-[(3R)-3-bromopyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Br)C1
InChIInChI=1S/C6H10BrNO/c1-5(9)8-3-2-6(7)4-8/h6H,2-4H2,1H3/t6-/m1/s1
InChIKeyPWZFFFSSNKQIFL-ZCFIWIBFSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3R)-3-bromopyrrolidin-1-yl]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

1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
1-(4-bromo-3-hydroxypiperidin-1-yl)ethanone
CID 117273082
1-(3-bromo-4-methylpiperidin-1-yl)ethanone
CID 102962242
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone (CID 66569138) is 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Br)C1.
What is the InChIKey of 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone?
The InChIKey is PWZFFFSSNKQIFL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-5(9)8-3-2-6(7)4-8/h6H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone?
1-[(3R)-3-bromopyrrolidin-1-yl]ethanone has a molecular weight of 192.06 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-bromopyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66569138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).