1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone

C10H17BrO — CID 134894335

IUPAC1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone
SMILESCC(=O)C1CCC[C@H]1CCCBr
InChIInChI=1S/C10H17BrO/c1-8(12)10-6-2-4-9(10)5-3-7-11/h9-10H,2-7H2,1H3/t9-,10?/m0/s1
InChIKeyFWDAYSCOBGEZRB-RGURZIINSA-N
MW233.15 g/mol
LogP3.17
Rot. Bonds4

About 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone

1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone (PubChem CID 134894335) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone
PubChem CID134894335
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone
SMILESCC(=O)C1CCC[C@H]1CCCBr
InChIInChI=1S/C10H17BrO/c1-8(12)10-6-2-4-9(10)5-3-7-11/h9-10H,2-7H2,1H3/t9-,10?/m0/s1
InChIKeyFWDAYSCOBGEZRB-RGURZIINSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-(3-bromopropyl)cyclopentyl]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

3-Methyl-2-pentylcyclopentan-1-one
CID 114453
2-(2-Bromoethyl)cyclopentan-1-one
CID 14968965
trans-1-Acetyl-2-methylcyclopentane
CID 138004
Ethanone, 1-(2-methylcyclopentyl)-, trans-
CID 229504
2-(3-Bromopropyl)cyclododecan-1-one
CID 14916193
1-Bromo-4-cyclopentylbutan-2-one
CID 46741337
cis-(2R,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentan-1-one
CID 11009208
2-(4-Bromobutyl)cyclopentan-1-one
CID 14241667
1-[(1S,2S)-2-(2-oxopropyl)cyclopentyl]propan-2-one
CID 101931286
cis-1-Acetyl-2-methylcyclopentane
CID 12734620
trans-3-Methyl-2-pentylcyclopentanone
CID 12861280
trans-(2R,3S)-2-methyl-3-octylcyclopentan-1-one
CID 10822367

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone?
The IUPAC name of 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone (CID 134894335) is 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone is CC(=O)C1CCC[C@H]1CCCBr.
What is the InChIKey of 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone?
The InChIKey is FWDAYSCOBGEZRB-RGURZIINSA-N. The full InChI is InChI=1S/C10H17BrO/c1-8(12)10-6-2-4-9(10)5-3-7-11/h9-10H,2-7H2,1H3/t9-,10?/m0/s1.
What are the key properties of 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone?
1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone has a molecular weight of 233.15 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-bromopropyl)cyclopentyl]ethanone is sourced from PubChem (CID 134894335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).