1-chloro-1-ethynylcyclopropane

C5H5Cl — CID 12772375

IUPAC1-chloro-1-ethynylcyclopropane
SMILESC#CC1(Cl)CC1
InChIInChI=1S/C5H5Cl/c1-2-5(6)3-4-5/h1H,3-4H2
InChIKeyPSYKWBMKGMCBTL-UHFFFAOYSA-N
MW100.55 g/mol
LogP1.39
Rot. Bonds

About 1-chloro-1-ethynylcyclopropane

1-chloro-1-ethynylcyclopropane (PubChem CID 12772375) has the molecular formula C5H5Cl and a molecular weight of 100.55 g/mol. Its IUPAC name is 1-chloro-1-ethynylcyclopropane.

Molecular Properties

Compound Name1-chloro-1-ethynylcyclopropane
PubChem CID12772375
Molecular FormulaC5H5Cl
Molecular Weight100.55 g/mol
Exact Mass100.01
IUPAC Name1-chloro-1-ethynylcyclopropane
SMILESC#CC1(Cl)CC1
InChIInChI=1S/C5H5Cl/c1-2-5(6)3-4-5/h1H,3-4H2
InChIKeyPSYKWBMKGMCBTL-UHFFFAOYSA-N
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.55
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-ethynylcyclopropane?
The IUPAC name of 1-chloro-1-ethynylcyclopropane (CID 12772375) is 1-chloro-1-ethynylcyclopropane.
What is the SMILES notation for 1-chloro-1-ethynylcyclopropane?
The canonical SMILES for 1-chloro-1-ethynylcyclopropane is C#CC1(Cl)CC1.
What is the InChIKey of 1-chloro-1-ethynylcyclopropane?
The InChIKey is PSYKWBMKGMCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl/c1-2-5(6)3-4-5/h1H,3-4H2.
What are the key properties of 1-chloro-1-ethynylcyclopropane?
1-chloro-1-ethynylcyclopropane has a molecular weight of 100.55 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethynylcyclopropane is sourced from PubChem (CID 12772375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).