3-bromoprop-1-en-2-ylcyclopentane

C8H13Br — CID 66872337

IUPAC3-bromoprop-1-en-2-ylcyclopentane
SMILESC=C(CBr)C1CCCC1
InChIInChI=1S/C8H13Br/c1-7(6-9)8-4-2-3-5-8/h8H,1-6H2
InChIKeyJERUMTYIMSEFDB-UHFFFAOYSA-N
MW189.10 g/mol
LogP3.13
Rot. Bonds2

About 3-bromoprop-1-en-2-ylcyclopentane

3-bromoprop-1-en-2-ylcyclopentane (PubChem CID 66872337) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is 3-bromoprop-1-en-2-ylcyclopentane.

Molecular Properties

Compound Name3-bromoprop-1-en-2-ylcyclopentane
PubChem CID66872337
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name3-bromoprop-1-en-2-ylcyclopentane
SMILESC=C(CBr)C1CCCC1
InChIInChI=1S/C8H13Br/c1-7(6-9)8-4-2-3-5-8/h8H,1-6H2
InChIKeyJERUMTYIMSEFDB-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 123720137
3-cyclopentyl-N-methylbut-3-en-1-amine
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[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
CID 89170399
1-(2-cyclopentylprop-2-enyl)piperazine
CID 117269489
5-cyclohexylhex-1-en-2-ylcyclohexane
CID 57058746
4-bromo-1-cyclohexylbutan-1-one;ethene
CID 20509826
2-bromo-1-(5-methylcyclononyl)ethanone
CID 91064244
5-isocyanatopent-1-en-2-ylcyclohexane
CID 101481102
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
ethane;[(3Z)-5-methylidenehepta-1,3-dien-2-yl]cyclopentane
CID 143163301
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
CID 134954711

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-en-2-ylcyclopentane?
The IUPAC name of 3-bromoprop-1-en-2-ylcyclopentane (CID 66872337) is 3-bromoprop-1-en-2-ylcyclopentane.
What is the SMILES notation for 3-bromoprop-1-en-2-ylcyclopentane?
The canonical SMILES for 3-bromoprop-1-en-2-ylcyclopentane is C=C(CBr)C1CCCC1.
What is the InChIKey of 3-bromoprop-1-en-2-ylcyclopentane?
The InChIKey is JERUMTYIMSEFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c1-7(6-9)8-4-2-3-5-8/h8H,1-6H2.
What are the key properties of 3-bromoprop-1-en-2-ylcyclopentane?
3-bromoprop-1-en-2-ylcyclopentane has a molecular weight of 189.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-en-2-ylcyclopentane is sourced from PubChem (CID 66872337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).