(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one

C8H11BrO — CID 86337331

IUPAC(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
SMILESC[C@H](Br)C(=O)C1=CCCC1
InChIInChI=1S/C8H11BrO/c1-6(9)8(10)7-4-2-3-5-7/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyIYWNSIVDIMEZOT-LURJTMIESA-N
MW203.08 g/mol
LogP2.45
Rot. Bonds2

About (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one

(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one (PubChem CID 86337331) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
PubChem CID86337331
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
SMILESC[C@H](Br)C(=O)C1=CCCC1
InChIInChI=1S/C8H11BrO/c1-6(9)8(10)7-4-2-3-5-7/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyIYWNSIVDIMEZOT-LURJTMIESA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-bromo-1-(cyclopenten-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-(cyclohepten-1-yl)propan-1-one
CID 106655132
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
CID 130668502
1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
CID 62078829
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309405
2-(cyclopentene-1-carbonyloxy)propyl cyclopentene-1-carboxylate
CID 150652864
3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide
CID 141406467
cyclopenten-1-yl-(2-methylcyclopropyl)methanone
CID 62080123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one?
The IUPAC name of (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one (CID 86337331) is (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one is C[C@H](Br)C(=O)C1=CCCC1.
What is the InChIKey of (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one?
The InChIKey is IYWNSIVDIMEZOT-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrO/c1-6(9)8(10)7-4-2-3-5-7/h4,6H,2-3,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one?
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one has a molecular weight of 203.08 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one is sourced from PubChem (CID 86337331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).