1-(bromomethyl)-1-prop-2-enylcyclopentane

C9H15Br — CID 102347052

IUPAC1-(bromomethyl)-1-prop-2-enylcyclopentane
SMILESC=CCC1(CBr)CCCC1
InChIInChI=1S/C9H15Br/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8H2
InChIKeySWYBYXKJBKFOLT-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.52
Rot. Bonds3

About 1-(bromomethyl)-1-prop-2-enylcyclopentane

1-(bromomethyl)-1-prop-2-enylcyclopentane (PubChem CID 102347052) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-prop-2-enylcyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-prop-2-enylcyclopentane
PubChem CID102347052
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name1-(bromomethyl)-1-prop-2-enylcyclopentane
SMILESC=CCC1(CBr)CCCC1
InChIInChI=1S/C9H15Br/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8H2
InChIKeySWYBYXKJBKFOLT-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.52
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 1-(bromomethyl)-1-prop-2-enylcyclopentane?
The IUPAC name of 1-(bromomethyl)-1-prop-2-enylcyclopentane (CID 102347052) is 1-(bromomethyl)-1-prop-2-enylcyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-prop-2-enylcyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-prop-2-enylcyclopentane is C=CCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-prop-2-enylcyclopentane?
The InChIKey is SWYBYXKJBKFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8H2.
What are the key properties of 1-(bromomethyl)-1-prop-2-enylcyclopentane?
1-(bromomethyl)-1-prop-2-enylcyclopentane has a molecular weight of 203.12 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-prop-2-enylcyclopentane is sourced from PubChem (CID 102347052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).