cyclopent-3-ene-1-carbonyl chloride

C6H7ClO — CID 13173314

IUPACcyclopent-3-ene-1-carbonyl chloride
SMILESO=C(Cl)C1CC=CC1
InChIInChI=1S/C6H7ClO/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2
InChIKeyPNNPWJAWAATBJZ-UHFFFAOYSA-N
MW130.57 g/mol
LogP1.72
Rot. Bonds1

About cyclopent-3-ene-1-carbonyl chloride

cyclopent-3-ene-1-carbonyl chloride (PubChem CID 13173314) has the molecular formula C6H7ClO and a molecular weight of 130.57 g/mol. Its IUPAC name is cyclopent-3-ene-1-carbonyl chloride.

Molecular Properties

Compound Namecyclopent-3-ene-1-carbonyl chloride
PubChem CID13173314
Molecular FormulaC6H7ClO
Molecular Weight130.57 g/mol
Exact Mass130.02
IUPAC Namecyclopent-3-ene-1-carbonyl chloride
SMILESO=C(Cl)C1CC=CC1
InChIInChI=1S/C6H7ClO/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2
InChIKeyPNNPWJAWAATBJZ-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.57
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-ene-1-carbonyl chloride?
The IUPAC name of cyclopent-3-ene-1-carbonyl chloride (CID 13173314) is cyclopent-3-ene-1-carbonyl chloride.
What is the SMILES notation for cyclopent-3-ene-1-carbonyl chloride?
The canonical SMILES for cyclopent-3-ene-1-carbonyl chloride is O=C(Cl)C1CC=CC1.
What is the InChIKey of cyclopent-3-ene-1-carbonyl chloride?
The InChIKey is PNNPWJAWAATBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2.
What are the key properties of cyclopent-3-ene-1-carbonyl chloride?
cyclopent-3-ene-1-carbonyl chloride has a molecular weight of 130.57 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-ene-1-carbonyl chloride is sourced from PubChem (CID 13173314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).