1-bromopent-4-en-2-ylcyclopentane

C10H17Br — CID 131225659

IUPAC1-bromopent-4-en-2-ylcyclopentane
SMILESC=CCC(CBr)C1CCCC1
InChIInChI=1S/C10H17Br/c1-2-5-10(8-11)9-6-3-4-7-9/h2,9-10H,1,3-8H2
InChIKeyDDPAAGMJSINMDM-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.76
Rot. Bonds4

About 1-bromopent-4-en-2-ylcyclopentane

1-bromopent-4-en-2-ylcyclopentane (PubChem CID 131225659) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-bromopent-4-en-2-ylcyclopentane.

Molecular Properties

Compound Name1-bromopent-4-en-2-ylcyclopentane
PubChem CID131225659
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-bromopent-4-en-2-ylcyclopentane
SMILESC=CCC(CBr)C1CCCC1
InChIInChI=1S/C10H17Br/c1-2-5-10(8-11)9-6-3-4-7-9/h2,9-10H,1,3-8H2
InChIKeyDDPAAGMJSINMDM-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of 1-bromopent-4-en-2-ylcyclopentane?
The IUPAC name of 1-bromopent-4-en-2-ylcyclopentane (CID 131225659) is 1-bromopent-4-en-2-ylcyclopentane.
What is the SMILES notation for 1-bromopent-4-en-2-ylcyclopentane?
The canonical SMILES for 1-bromopent-4-en-2-ylcyclopentane is C=CCC(CBr)C1CCCC1.
What is the InChIKey of 1-bromopent-4-en-2-ylcyclopentane?
The InChIKey is DDPAAGMJSINMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-2-5-10(8-11)9-6-3-4-7-9/h2,9-10H,1,3-8H2.
What are the key properties of 1-bromopent-4-en-2-ylcyclopentane?
1-bromopent-4-en-2-ylcyclopentane has a molecular weight of 217.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopent-4-en-2-ylcyclopentane is sourced from PubChem (CID 131225659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).