1-(3-chloropropyl)cyclopropene

C6H9Cl — CID 55302087

IUPAC1-(3-chloropropyl)cyclopropene
SMILESClCCCC1=CC1
InChIInChI=1S/C6H9Cl/c7-5-1-2-6-3-4-6/h3H,1-2,4-5H2
InChIKeyZHMLSBCPSIWAIM-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.34
Rot. Bonds3

About 1-(3-chloropropyl)cyclopropene

1-(3-chloropropyl)cyclopropene (PubChem CID 55302087) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-(3-chloropropyl)cyclopropene.

Molecular Properties

Compound Name1-(3-chloropropyl)cyclopropene
PubChem CID55302087
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-(3-chloropropyl)cyclopropene
SMILESClCCCC1=CC1
InChIInChI=1S/C6H9Cl/c7-5-1-2-6-3-4-6/h3H,1-2,4-5H2
InChIKeyZHMLSBCPSIWAIM-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.34
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-(3-chloropropyl)cyclopropene?
The IUPAC name of 1-(3-chloropropyl)cyclopropene (CID 55302087) is 1-(3-chloropropyl)cyclopropene.
What is the SMILES notation for 1-(3-chloropropyl)cyclopropene?
The canonical SMILES for 1-(3-chloropropyl)cyclopropene is ClCCCC1=CC1.
What is the InChIKey of 1-(3-chloropropyl)cyclopropene?
The InChIKey is ZHMLSBCPSIWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c7-5-1-2-6-3-4-6/h3H,1-2,4-5H2.
What are the key properties of 1-(3-chloropropyl)cyclopropene?
1-(3-chloropropyl)cyclopropene has a molecular weight of 116.59 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)cyclopropene is sourced from PubChem (CID 55302087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).