5-chloropent-2-enoyl chloride

C5H6Cl2O — CID 54378631

IUPAC5-chloropent-2-enoyl chloride
SMILESO=C(Cl)C=CCCCl
InChIInChI=1S/C5H6Cl2O/c6-4-2-1-3-5(7)8/h1,3H,2,4H2
InChIKeyUYIRIOXKHCFWEV-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.94
Rot. Bonds3

About 5-chloropent-2-enoyl chloride

5-chloropent-2-enoyl chloride (PubChem CID 54378631) has the molecular formula C5H6Cl2O and a molecular weight of 153.01 g/mol. Its IUPAC name is 5-chloropent-2-enoyl chloride.

Molecular Properties

Compound Name5-chloropent-2-enoyl chloride
PubChem CID54378631
Molecular FormulaC5H6Cl2O
Molecular Weight153.01 g/mol
Exact Mass151.98
IUPAC Name5-chloropent-2-enoyl chloride
SMILESO=C(Cl)C=CCCCl
InChIInChI=1S/C5H6Cl2O/c6-4-2-1-3-5(7)8/h1,3H,2,4H2
InChIKeyUYIRIOXKHCFWEV-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Chlorobut-2-enoyl chloride
CID 10396911
Pent-2-enoyl chloride
CID 2760310
(E)-pent-2-enoyl chloride
CID 5706546
(E)-6-chlorohex-2-enoyl chloride
CID 12148885
(2E)-hexa-2,5-dienoyl chloride
CID 13539229
(E)-5-chloropent-2-enoyl chloride
CID 17958833
4-Chloro-2-butenoyl chloride
CID 53986161
Pent-2-enedioyl dichloride
CID 54229106
2,5-Hexadienoyl chloride
CID 54421596
5-Tritiopent-2-enoyl chloride
CID 59970974
6-Chloro-2-hexenoyl chloride
CID 85435529
(Z)-pent-2-enoyl chloride
CID 123352121

Frequently Asked Questions

What is the IUPAC name of 5-chloropent-2-enoyl chloride?
The IUPAC name of 5-chloropent-2-enoyl chloride (CID 54378631) is 5-chloropent-2-enoyl chloride.
What is the SMILES notation for 5-chloropent-2-enoyl chloride?
The canonical SMILES for 5-chloropent-2-enoyl chloride is O=C(Cl)C=CCCCl.
What is the InChIKey of 5-chloropent-2-enoyl chloride?
The InChIKey is UYIRIOXKHCFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O/c6-4-2-1-3-5(7)8/h1,3H,2,4H2.
What are the key properties of 5-chloropent-2-enoyl chloride?
5-chloropent-2-enoyl chloride has a molecular weight of 153.01 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropent-2-enoyl chloride is sourced from PubChem (CID 54378631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).