2-[(E)-1-bromopent-2-en-2-yl]thiophene

C9H11BrS — CID 126676876

IUPAC2-[(E)-1-bromopent-2-en-2-yl]thiophene
SMILESCC/C=C(/CBr)c1cccs1
InChIInChI=1S/C9H11BrS/c1-2-4-8(7-10)9-5-3-6-11-9/h3-6H,2,7H2,1H3/b8-4-
InChIKeyBXFIHMYQHYLACS-YWEYNIOJSA-N
MW231.16 g/mol
LogP3.94
Rot. Bonds3

About 2-[(E)-1-bromopent-2-en-2-yl]thiophene

2-[(E)-1-bromopent-2-en-2-yl]thiophene (PubChem CID 126676876) has the molecular formula C9H11BrS and a molecular weight of 231.16 g/mol. Its IUPAC name is 2-[(E)-1-bromopent-2-en-2-yl]thiophene.

Molecular Properties

Compound Name2-[(E)-1-bromopent-2-en-2-yl]thiophene
PubChem CID126676876
Molecular FormulaC9H11BrS
Molecular Weight231.16 g/mol
Exact Mass229.98
IUPAC Name2-[(E)-1-bromopent-2-en-2-yl]thiophene
SMILESCC/C=C(/CBr)c1cccs1
InChIInChI=1S/C9H11BrS/c1-2-4-8(7-10)9-5-3-6-11-9/h3-6H,2,7H2,1H3/b8-4-
InChIKeyBXFIHMYQHYLACS-YWEYNIOJSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2E,4Z)-4-sulfanyl-2-thiophen-2-ylhepta-2,4-dienenitrile
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2-(1-thiophen-2-ylprop-1-enyl)thiophene
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-bromopent-2-en-2-yl]thiophene?
The IUPAC name of 2-[(E)-1-bromopent-2-en-2-yl]thiophene (CID 126676876) is 2-[(E)-1-bromopent-2-en-2-yl]thiophene.
What is the SMILES notation for 2-[(E)-1-bromopent-2-en-2-yl]thiophene?
The canonical SMILES for 2-[(E)-1-bromopent-2-en-2-yl]thiophene is CC/C=C(/CBr)c1cccs1.
What is the InChIKey of 2-[(E)-1-bromopent-2-en-2-yl]thiophene?
The InChIKey is BXFIHMYQHYLACS-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H11BrS/c1-2-4-8(7-10)9-5-3-6-11-9/h3-6H,2,7H2,1H3/b8-4-.
What are the key properties of 2-[(E)-1-bromopent-2-en-2-yl]thiophene?
2-[(E)-1-bromopent-2-en-2-yl]thiophene has a molecular weight of 231.16 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-bromopent-2-en-2-yl]thiophene is sourced from PubChem (CID 126676876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).