1-bromo-2,5-diethylcyclopenta-1,3-diene

C9H13Br — CID 87718886

IUPAC1-bromo-2,5-diethylcyclopenta-1,3-diene
SMILESCCC1=C(Br)C(CC)C=C1
InChIInChI=1S/C9H13Br/c1-3-7-5-6-8(4-2)9(7)10/h5-7H,3-4H2,1-2H3
InChIKeyUFQZFMANHNAENN-UHFFFAOYSA-N
MW201.11 g/mol
LogP3.64
Rot. Bonds2

About 1-bromo-2,5-diethylcyclopenta-1,3-diene

1-bromo-2,5-diethylcyclopenta-1,3-diene (PubChem CID 87718886) has the molecular formula C9H13Br and a molecular weight of 201.11 g/mol. Its IUPAC name is 1-bromo-2,5-diethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-bromo-2,5-diethylcyclopenta-1,3-diene
PubChem CID87718886
Molecular FormulaC9H13Br
Molecular Weight201.11 g/mol
Exact Mass200.02
IUPAC Name1-bromo-2,5-diethylcyclopenta-1,3-diene
SMILESCCC1=C(Br)C(CC)C=C1
InChIInChI=1S/C9H13Br/c1-3-7-5-6-8(4-2)9(7)10/h5-7H,3-4H2,1-2H3
InChIKeyUFQZFMANHNAENN-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,5-diethylcyclopenta-1,3-diene?
The IUPAC name of 1-bromo-2,5-diethylcyclopenta-1,3-diene (CID 87718886) is 1-bromo-2,5-diethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-bromo-2,5-diethylcyclopenta-1,3-diene?
The canonical SMILES for 1-bromo-2,5-diethylcyclopenta-1,3-diene is CCC1=C(Br)C(CC)C=C1.
What is the InChIKey of 1-bromo-2,5-diethylcyclopenta-1,3-diene?
The InChIKey is UFQZFMANHNAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br/c1-3-7-5-6-8(4-2)9(7)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2,5-diethylcyclopenta-1,3-diene?
1-bromo-2,5-diethylcyclopenta-1,3-diene has a molecular weight of 201.11 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,5-diethylcyclopenta-1,3-diene is sourced from PubChem (CID 87718886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).