1-chloropropylcyclopropane

C6H11Cl — CID 13234844

IUPAC1-chloropropylcyclopropane
SMILESCCC(Cl)C1CC1
InChIInChI=1S/C6H11Cl/c1-2-6(7)5-3-4-5/h5-6H,2-4H2,1H3
InChIKeyIUCBRIGKYKSZMU-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.41
Rot. Bonds2

About 1-chloropropylcyclopropane

1-chloropropylcyclopropane (PubChem CID 13234844) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 1-chloropropylcyclopropane.

Molecular Properties

Compound Name1-chloropropylcyclopropane
PubChem CID13234844
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name1-chloropropylcyclopropane
SMILESCCC(Cl)C1CC1
InChIInChI=1S/C6H11Cl/c1-2-6(7)5-3-4-5/h5-6H,2-4H2,1H3
InChIKeyIUCBRIGKYKSZMU-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloropropylcyclopropane?
The IUPAC name of 1-chloropropylcyclopropane (CID 13234844) is 1-chloropropylcyclopropane.
What is the SMILES notation for 1-chloropropylcyclopropane?
The canonical SMILES for 1-chloropropylcyclopropane is CCC(Cl)C1CC1.
What is the InChIKey of 1-chloropropylcyclopropane?
The InChIKey is IUCBRIGKYKSZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-2-6(7)5-3-4-5/h5-6H,2-4H2,1H3.
What are the key properties of 1-chloropropylcyclopropane?
1-chloropropylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropylcyclopropane is sourced from PubChem (CID 13234844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).