3-bromo-1-but-3-enyl-1-methylcyclopentane

C10H17Br — CID 116540764

IUPAC3-bromo-1-but-3-enyl-1-methylcyclopentane
SMILESC=CCCC1(C)CCC(Br)C1
InChIInChI=1S/C10H17Br/c1-3-4-6-10(2)7-5-9(11)8-10/h3,9H,1,4-8H2,2H3
InChIKeyZCFULFHHWWHJPV-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.91
Rot. Bonds3

About 3-bromo-1-but-3-enyl-1-methylcyclopentane

3-bromo-1-but-3-enyl-1-methylcyclopentane (PubChem CID 116540764) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-bromo-1-but-3-enyl-1-methylcyclopentane.

Molecular Properties

Compound Name3-bromo-1-but-3-enyl-1-methylcyclopentane
PubChem CID116540764
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name3-bromo-1-but-3-enyl-1-methylcyclopentane
SMILESC=CCCC1(C)CCC(Br)C1
InChIInChI=1S/C10H17Br/c1-3-4-6-10(2)7-5-9(11)8-10/h3,9H,1,4-8H2,2H3
InChIKeyZCFULFHHWWHJPV-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.91
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

3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
1-but-3-enyl-3-chloro-1-methylcyclopentane
CID 116540428
3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane
CID 116540660
3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine
CID 175530894
4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
CID 116540815
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
3-(1,4-dimethylcyclohexyl)propanal
CID 167495572
2-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-but-3-enyl-1-methylcyclopentane?
The IUPAC name of 3-bromo-1-but-3-enyl-1-methylcyclopentane (CID 116540764) is 3-bromo-1-but-3-enyl-1-methylcyclopentane.
What is the SMILES notation for 3-bromo-1-but-3-enyl-1-methylcyclopentane?
The canonical SMILES for 3-bromo-1-but-3-enyl-1-methylcyclopentane is C=CCCC1(C)CCC(Br)C1.
What is the InChIKey of 3-bromo-1-but-3-enyl-1-methylcyclopentane?
The InChIKey is ZCFULFHHWWHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-3-4-6-10(2)7-5-9(11)8-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-bromo-1-but-3-enyl-1-methylcyclopentane?
3-bromo-1-but-3-enyl-1-methylcyclopentane has a molecular weight of 217.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-but-3-enyl-1-methylcyclopentane is sourced from PubChem (CID 116540764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).