1-[2-(chloromethyl)pent-4-enyl]cyclopentene

C11H17Cl — CID 165443456

IUPAC1-[2-(chloromethyl)pent-4-enyl]cyclopentene
SMILESC=CCC(CCl)CC1=CCCC1
InChIInChI=1S/C11H17Cl/c1-2-5-11(9-12)8-10-6-3-4-7-10/h2,6,11H,1,3-5,7-9H2
InChIKeyIKINIZSRMZTYQY-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(chloromethyl)pent-4-enyl]cyclopentene

1-[2-(chloromethyl)pent-4-enyl]cyclopentene (PubChem CID 165443456) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 1-[2-(chloromethyl)pent-4-enyl]cyclopentene.

Molecular Properties

Compound Name1-[2-(chloromethyl)pent-4-enyl]cyclopentene
PubChem CID165443456
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name1-[2-(chloromethyl)pent-4-enyl]cyclopentene
SMILESC=CCC(CCl)CC1=CCCC1
InChIInChI=1S/C11H17Cl/c1-2-5-11(9-12)8-10-6-3-4-7-10/h2,6,11H,1,3-5,7-9H2
InChIKeyIKINIZSRMZTYQY-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.92
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-[2-(chloromethyl)pent-4-enyl]cyclopentene?
The IUPAC name of 1-[2-(chloromethyl)pent-4-enyl]cyclopentene (CID 165443456) is 1-[2-(chloromethyl)pent-4-enyl]cyclopentene.
What is the SMILES notation for 1-[2-(chloromethyl)pent-4-enyl]cyclopentene?
The canonical SMILES for 1-[2-(chloromethyl)pent-4-enyl]cyclopentene is C=CCC(CCl)CC1=CCCC1.
What is the InChIKey of 1-[2-(chloromethyl)pent-4-enyl]cyclopentene?
The InChIKey is IKINIZSRMZTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c1-2-5-11(9-12)8-10-6-3-4-7-10/h2,6,11H,1,3-5,7-9H2.
What are the key properties of 1-[2-(chloromethyl)pent-4-enyl]cyclopentene?
1-[2-(chloromethyl)pent-4-enyl]cyclopentene has a molecular weight of 184.71 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)pent-4-enyl]cyclopentene is sourced from PubChem (CID 165443456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).