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

Analyze 1-bromo-2,5-diethylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
CID 174772232
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane
CID 176543856
5-pentyl-1,2-dipropylcyclopenta-1,3-diene
CID 174262023
1,6-diethylcyclohexa-1,4-diene
CID 90936968
1,6-bis(ethenyl)-2-ethyl-5-methylcyclohexa-1,3-diene
CID 142874815
butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane
CID 175870504
3-bromo-4-ethyl-1-methyl-2H-pyridine
CID 146392401
2-ethyl-3aH-indene
CID 23399067
1,5-diethyl-3-methylcyclopenta-1,3-diene
CID 87973123
1-chloro-7-ethylcyclohepta-1,3,5-triene
CID 71395695

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).