(1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol

C7H11BrO2 — CID 130927340

IUPAC(1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol
SMILESC=C[C@]1(O)CC[C@H](Br)[C@H]1O
InChIInChI=1S/C7H11BrO2/c1-2-7(10)4-3-5(8)6(7)9/h2,5-6,9-10H,1,3-4H2/t5-,6+,7-/m0/s1
InChIKeyFUZDRYZYNIKSAX-XVMARJQXSA-N
MW207.07 g/mol
LogP0.82
Rot. Bonds1

About (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol

(1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol (PubChem CID 130927340) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol
PubChem CID130927340
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name(1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol
SMILESC=C[C@]1(O)CC[C@H](Br)[C@H]1O
InChIInChI=1S/C7H11BrO2/c1-2-7(10)4-3-5(8)6(7)9/h2,5-6,9-10H,1,3-4H2/t5-,6+,7-/m0/s1
InChIKeyFUZDRYZYNIKSAX-XVMARJQXSA-N
XLogP0.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol (CID 130927340) is (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol is C=C[C@]1(O)CC[C@H](Br)[C@H]1O.
What is the InChIKey of (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol?
The InChIKey is FUZDRYZYNIKSAX-XVMARJQXSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-2-7(10)4-3-5(8)6(7)9/h2,5-6,9-10H,1,3-4H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol?
(1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol has a molecular weight of 207.07 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-3-bromo-1-ethenylcyclopentane-1,2-diol is sourced from PubChem (CID 130927340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).