2-(chloromethyl)but-1-enylcyclopropane

C8H13Cl — CID 79324432

IUPAC2-(chloromethyl)but-1-enylcyclopropane
SMILESCCC(=CC1CC1)CCl
InChIInChI=1S/C8H13Cl/c1-2-7(6-9)5-8-3-4-8/h5,8H,2-4,6H2,1H3
InChIKeyGLQUYKAZOCFQTE-UHFFFAOYSA-N
MW144.64 g/mol
LogP2.97
Rot. Bonds3

About 2-(chloromethyl)but-1-enylcyclopropane

2-(chloromethyl)but-1-enylcyclopropane (PubChem CID 79324432) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 2-(chloromethyl)but-1-enylcyclopropane.

Molecular Properties

Compound Name2-(chloromethyl)but-1-enylcyclopropane
PubChem CID79324432
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name2-(chloromethyl)but-1-enylcyclopropane
SMILESCCC(=CC1CC1)CCl
InChIInChI=1S/C8H13Cl/c1-2-7(6-9)5-8-3-4-8/h5,8H,2-4,6H2,1H3
InChIKeyGLQUYKAZOCFQTE-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 52.97
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 2-(chloromethyl)but-1-enylcyclopropane?
The IUPAC name of 2-(chloromethyl)but-1-enylcyclopropane (CID 79324432) is 2-(chloromethyl)but-1-enylcyclopropane.
What is the SMILES notation for 2-(chloromethyl)but-1-enylcyclopropane?
The canonical SMILES for 2-(chloromethyl)but-1-enylcyclopropane is CCC(=CC1CC1)CCl.
What is the InChIKey of 2-(chloromethyl)but-1-enylcyclopropane?
The InChIKey is GLQUYKAZOCFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-2-7(6-9)5-8-3-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-(chloromethyl)but-1-enylcyclopropane?
2-(chloromethyl)but-1-enylcyclopropane has a molecular weight of 144.64 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)but-1-enylcyclopropane is sourced from PubChem (CID 79324432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).