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

C9H13Br — CID 173084452

IUPAC3-bromo-1,2-diethylcyclopenta-1,3-diene
SMILESCCC1=C(CC)C(Br)=CC1
InChIInChI=1S/C9H13Br/c1-3-7-5-6-9(10)8(7)4-2/h6H,3-5H2,1-2H3
InChIKeyCDAZTSOOEATJDJ-UHFFFAOYSA-N
MW201.11 g/mol
LogP3.79
Rot. Bonds2

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

3-bromo-1,2-diethylcyclopenta-1,3-diene (PubChem CID 173084452) has the molecular formula C9H13Br and a molecular weight of 201.11 g/mol. Its IUPAC name is 3-bromo-1,2-diethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-bromo-1,2-diethylcyclopenta-1,3-diene
PubChem CID173084452
Molecular FormulaC9H13Br
Molecular Weight201.11 g/mol
Exact Mass200.02
IUPAC Name3-bromo-1,2-diethylcyclopenta-1,3-diene
SMILESCCC1=C(CC)C(Br)=CC1
InChIInChI=1S/C9H13Br/c1-3-7-5-6-9(10)8(7)4-2/h6H,3-5H2,1-2H3
InChIKeyCDAZTSOOEATJDJ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12975325
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
CID 139667512
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
1,2,4,5-tetraethylcyclohepta-1,3,5-triene
CID 153389837
2-bromocyclobut-2-en-1-one
CID 71545776
8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine
CID 167052639
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
CID 22347909
2,6,7-trichloro-3-ethyl-4H-azepine
CID 174251577
6-bromo-5-ethyl-2-piperidin-1-yl-1,4-dihydroazepin-7-one
CID 170790329
2-chloro-3-ethyl-6,7-dimethyl-4H-azepine
CID 123489443
4-bromo-1-ethyl-2-methylcyclohexa-1,3-diene
CID 144960407

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2-diethylcyclopenta-1,3-diene?
The IUPAC name of 3-bromo-1,2-diethylcyclopenta-1,3-diene (CID 173084452) is 3-bromo-1,2-diethylcyclopenta-1,3-diene.
What is the SMILES notation for 3-bromo-1,2-diethylcyclopenta-1,3-diene?
The canonical SMILES for 3-bromo-1,2-diethylcyclopenta-1,3-diene is CCC1=C(CC)C(Br)=CC1.
What is the InChIKey of 3-bromo-1,2-diethylcyclopenta-1,3-diene?
The InChIKey is CDAZTSOOEATJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br/c1-3-7-5-6-9(10)8(7)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-bromo-1,2-diethylcyclopenta-1,3-diene?
3-bromo-1,2-diethylcyclopenta-1,3-diene has a molecular weight of 201.11 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2-diethylcyclopenta-1,3-diene is sourced from PubChem (CID 173084452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).