2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene

C8H9Br — CID 10899343

IUPAC2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene
SMILESC=C(Br)CC1=CCC=C1
InChIInChI=1S/C8H9Br/c1-7(9)6-8-4-2-3-5-8/h2,4-5H,1,3,6H2
InChIKeyPYPNGINBONCEGR-UHFFFAOYSA-N
MW185.06 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene

2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene (PubChem CID 10899343) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene
PubChem CID10899343
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene
SMILESC=C(Br)CC1=CCC=C1
InChIInChI=1S/C8H9Br/c1-7(9)6-8-4-2-3-5-8/h2,4-5H,1,3,6H2
InChIKeyPYPNGINBONCEGR-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2-bromoprop-2-enyl)cyclopenta-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-Brom-p-xylol
CID 21285705
1-Bromstyrol
CID 21877402
Bromofulvene
CID 129721068
1-Bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene
CID 144915472
(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene
CID 145071618
(3Z)-4-(1-bromoethenyl)-2-fluoroocta-1,3,7-triene
CID 153561402
(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene
CID 155135018
(3E)-4-bromo-2-fluoro-5-methylidenehepta-1,3-diene
CID 172326955
1-(4-Bromobutyl)cyclopenta-1,3-diene
CID 15509550
1-(3-Bromopropyl)cyclopenta-1,3-diene
CID 89195585
Bromocycloheptatrienylcyclopentene
CID 129812916
1-Bromoethylbenzene;rutherfordium
CID 134855619

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene (CID 10899343) is 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene is C=C(Br)CC1=CCC=C1.
What is the InChIKey of 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene?
The InChIKey is PYPNGINBONCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c1-7(9)6-8-4-2-3-5-8/h2,4-5H,1,3,6H2.
What are the key properties of 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene?
2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene has a molecular weight of 185.06 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)cyclopenta-1,3-diene is sourced from PubChem (CID 10899343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).