pent-2-enoyl chloride

C5H7ClO — CID 2760310

IUPACpent-2-enoyl chloride
SMILESCCC=CC(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3
InChIKeyOTTYFDRFBJPGRW-UHFFFAOYSA-N
MW118.56 g/mol
LogP1.72
Rot. Bonds2

About pent-2-enoyl chloride

pent-2-enoyl chloride (PubChem CID 2760310) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is pent-2-enoyl chloride.

Molecular Properties

Compound Namepent-2-enoyl chloride
PubChem CID2760310
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Namepent-2-enoyl chloride
SMILESCCC=CC(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3
InChIKeyOTTYFDRFBJPGRW-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.56
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-2-enoyl chloride?
The IUPAC name of pent-2-enoyl chloride (CID 2760310) is pent-2-enoyl chloride.
What is the SMILES notation for pent-2-enoyl chloride?
The canonical SMILES for pent-2-enoyl chloride is CCC=CC(=O)Cl.
What is the InChIKey of pent-2-enoyl chloride?
The InChIKey is OTTYFDRFBJPGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3.
What are the key properties of pent-2-enoyl chloride?
pent-2-enoyl chloride has a molecular weight of 118.56 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enoyl chloride is sourced from PubChem (CID 2760310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).