2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene

C8H11Br — CID 118654081

IUPAC2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene
SMILESCCC1=CC(Br)=C(C)C1
InChIInChI=1S/C8H11Br/c1-3-7-4-6(2)8(9)5-7/h5H,3-4H2,1-2H3
InChIKeyIKDMLNUSLLXAOD-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.40
Rot. Bonds1

About 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene

2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene (PubChem CID 118654081) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene
PubChem CID118654081
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene
SMILESCCC1=CC(Br)=C(C)C1
InChIInChI=1S/C8H11Br/c1-3-7-4-6(2)8(9)5-7/h5H,3-4H2,1-2H3
InChIKeyIKDMLNUSLLXAOD-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-ethyl-5-methyl-2H-pyrrole
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dichlorozirconium;2-ethyl-4,7-dimethyl-1H-indene
CID 174363313
5-ethylcyclohex-4-ene-1,3-diimine
CID 150111616
4-ethyl-6-methylcyclohepta-1,3,6-trien-1-amine
CID 163667191
1-ethyl-3-methylcyclopenta-1,3-diene;titanium
CID 174586215
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
4-ethyl-6-methylidene-3H-pyridin-2-one
CID 134558144
2-ethyl-7-(4-methylphenyl)-1H-indene
CID 57273568
3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane
CID 158813284

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene?
The IUPAC name of 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene (CID 118654081) is 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene.
What is the SMILES notation for 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene?
The canonical SMILES for 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene is CCC1=CC(Br)=C(C)C1.
What is the InChIKey of 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene?
The InChIKey is IKDMLNUSLLXAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c1-3-7-4-6(2)8(9)5-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene?
2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene has a molecular weight of 187.08 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 118654081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).