[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene

C16H21Br — CID 116518573

IUPAC[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene
SMILESBrCC(C1CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C16H21Br/c17-11-16(13-8-4-5-9-13)15-10-14(15)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2
InChIKeyXYOVAQWBWJRQLH-UHFFFAOYSA-N
MW293.25 g/mol
LogP4.99
Rot. Bonds4

About [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene

[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene (PubChem CID 116518573) has the molecular formula C16H21Br and a molecular weight of 293.25 g/mol. Its IUPAC name is [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene
PubChem CID116518573
Molecular FormulaC16H21Br
Molecular Weight293.25 g/mol
Exact Mass292.08
IUPAC Name[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene
SMILESBrCC(C1CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C16H21Br/c17-11-16(13-8-4-5-9-13)15-10-14(15)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2
InChIKeyXYOVAQWBWJRQLH-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517534
[cyclobutyl-(2-phenylcyclopropyl)methyl]hydrazine
CID 105224591
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
(2-bromo-1-cyclobutylethyl)cyclobutane
CID 130530719
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene?
The IUPAC name of [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene (CID 116518573) is [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene.
What is the SMILES notation for [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene?
The canonical SMILES for [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene is BrCC(C1CCCC1)C1CC1c1ccccc1.
What is the InChIKey of [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene?
The InChIKey is XYOVAQWBWJRQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br/c17-11-16(13-8-4-5-9-13)15-10-14(15)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2.
What are the key properties of [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene?
[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene has a molecular weight of 293.25 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene is sourced from PubChem (CID 116518573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).