(2S)-2-bromopent-4-en-1-ol

C5H9BrO — CID 11651199

IUPAC(2S)-2-bromopent-4-en-1-ol
SMILESC=CC[C@H](Br)CO
InChIInChI=1S/C5H9BrO/c1-2-3-5(6)4-7/h2,5,7H,1,3-4H2/t5-/m0/s1
InChIKeyGWGPDEPSLVJSKP-YFKPBYRVSA-N
MW165.03 g/mol
LogP1.32
Rot. Bonds3

About (2S)-2-bromopent-4-en-1-ol

(2S)-2-bromopent-4-en-1-ol (PubChem CID 11651199) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is (2S)-2-bromopent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-bromopent-4-en-1-ol
PubChem CID11651199
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name(2S)-2-bromopent-4-en-1-ol
SMILESC=CC[C@H](Br)CO
InChIInChI=1S/C5H9BrO/c1-2-3-5(6)4-7/h2,5,7H,1,3-4H2/t5-/m0/s1
InChIKeyGWGPDEPSLVJSKP-YFKPBYRVSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-2-bromopent-4-en-1-ol?
The IUPAC name of (2S)-2-bromopent-4-en-1-ol (CID 11651199) is (2S)-2-bromopent-4-en-1-ol.
What is the SMILES notation for (2S)-2-bromopent-4-en-1-ol?
The canonical SMILES for (2S)-2-bromopent-4-en-1-ol is C=CC[C@H](Br)CO.
What is the InChIKey of (2S)-2-bromopent-4-en-1-ol?
The InChIKey is GWGPDEPSLVJSKP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9BrO/c1-2-3-5(6)4-7/h2,5,7H,1,3-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-bromopent-4-en-1-ol?
(2S)-2-bromopent-4-en-1-ol has a molecular weight of 165.03 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromopent-4-en-1-ol is sourced from PubChem (CID 11651199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).