2-(bromomethyl)but-3-enylcyclopentane

C10H17Br — CID 11816786

IUPAC2-(bromomethyl)but-3-enylcyclopentane
SMILESC=CC(CBr)CC1CCCC1
InChIInChI=1S/C10H17Br/c1-2-9(8-11)7-10-5-3-4-6-10/h2,9-10H,1,3-8H2
InChIKeyDJDWGWZAEFVJOV-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.76
Rot. Bonds4

About 2-(bromomethyl)but-3-enylcyclopentane

2-(bromomethyl)but-3-enylcyclopentane (PubChem CID 11816786) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-(bromomethyl)but-3-enylcyclopentane.

Molecular Properties

Compound Name2-(bromomethyl)but-3-enylcyclopentane
PubChem CID11816786
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name2-(bromomethyl)but-3-enylcyclopentane
SMILESC=CC(CBr)CC1CCCC1
InChIInChI=1S/C10H17Br/c1-2-9(8-11)7-10-5-3-4-6-10/h2,9-10H,1,3-8H2
InChIKeyDJDWGWZAEFVJOV-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)but-3-enylcyclopentane?
The IUPAC name of 2-(bromomethyl)but-3-enylcyclopentane (CID 11816786) is 2-(bromomethyl)but-3-enylcyclopentane.
What is the SMILES notation for 2-(bromomethyl)but-3-enylcyclopentane?
The canonical SMILES for 2-(bromomethyl)but-3-enylcyclopentane is C=CC(CBr)CC1CCCC1.
What is the InChIKey of 2-(bromomethyl)but-3-enylcyclopentane?
The InChIKey is DJDWGWZAEFVJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-2-9(8-11)7-10-5-3-4-6-10/h2,9-10H,1,3-8H2.
What are the key properties of 2-(bromomethyl)but-3-enylcyclopentane?
2-(bromomethyl)but-3-enylcyclopentane has a molecular weight of 217.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)but-3-enylcyclopentane is sourced from PubChem (CID 11816786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).