1-(bromomethyl)cyclopentene

C6H9Br — CID 11073725

IUPAC1-(bromomethyl)cyclopentene
SMILESBrCC1=CCCC1
InChIInChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyNPTOTGQBAVKSOT-UHFFFAOYSA-N
MW161.04 g/mol
LogP2.49
Rot. Bonds1

About 1-(bromomethyl)cyclopentene

1-(bromomethyl)cyclopentene (PubChem CID 11073725) has the molecular formula C6H9Br and a molecular weight of 161.04 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopentene.

Molecular Properties

Compound Name1-(bromomethyl)cyclopentene
PubChem CID11073725
Molecular FormulaC6H9Br
Molecular Weight161.04 g/mol
Exact Mass159.99
IUPAC Name1-(bromomethyl)cyclopentene
SMILESBrCC1=CCCC1
InChIInChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyNPTOTGQBAVKSOT-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.04
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Bromomethyl)cyclohexene
CID 3015932
6-Bromo-2-methylhex-2-ene
CID 13638116
(E)-6-bromo-3-methylhex-2-ene
CID 14321353
1-Bromo-4-methyl-3-heptene
CID 53663285
(E)-1-bromo-4-methylhept-3-ene
CID 11769341
7-Bromo-2-methyl-2-heptene
CID 13091948
(E)-1-bromo-3-methylhept-2-ene
CID 13254098
1-Bromo-3-methylhept-2-ene
CID 53743521
1-Bromo-3-methylhex-2-ene
CID 71361051
(Z)-1-bromo-3-methylhept-2-ene
CID 170848599
1-(4-Bromobutyl)cyclopenta-1,3-diene
CID 15509550
1-(3-Bromopropyl)cyclopenta-1,3-diene
CID 89195585

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)cyclopentene?
The IUPAC name of 1-(bromomethyl)cyclopentene (CID 11073725) is 1-(bromomethyl)cyclopentene.
What is the SMILES notation for 1-(bromomethyl)cyclopentene?
The canonical SMILES for 1-(bromomethyl)cyclopentene is BrCC1=CCCC1.
What is the InChIKey of 1-(bromomethyl)cyclopentene?
The InChIKey is NPTOTGQBAVKSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2.
What are the key properties of 1-(bromomethyl)cyclopentene?
1-(bromomethyl)cyclopentene has a molecular weight of 161.04 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)cyclopentene is sourced from PubChem (CID 11073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).