2-oxopent-3-enoyl chloride

C5H5ClO2 — CID 85365025

IUPAC2-oxopent-3-enoyl chloride
SMILESCC=CC(=O)C(=O)Cl
InChIInChI=1S/C5H5ClO2/c1-2-3-4(7)5(6)8/h2-3H,1H3
InChIKeyCANWLQNYQRZVGZ-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.90
Rot. Bonds2

About 2-oxopent-3-enoyl chloride

2-oxopent-3-enoyl chloride (PubChem CID 85365025) has the molecular formula C5H5ClO2 and a molecular weight of 132.55 g/mol. Its IUPAC name is 2-oxopent-3-enoyl chloride.

Molecular Properties

Compound Name2-oxopent-3-enoyl chloride
PubChem CID85365025
Molecular FormulaC5H5ClO2
Molecular Weight132.55 g/mol
Exact Mass132.00
IUPAC Name2-oxopent-3-enoyl chloride
SMILESCC=CC(=O)C(=O)Cl
InChIInChI=1S/C5H5ClO2/c1-2-3-4(7)5(6)8/h2-3H,1H3
InChIKeyCANWLQNYQRZVGZ-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,5E)-3-chlorohepta-2,5-dien-4-one
CID 131345605
(E)-4-methoxy-2-oxobut-3-enoyl chloride
CID 15651848
hepta-2,5-dien-4-one
CID 54179619
but-2-enoyl chloride;prop-2-enoyl chloride
CID 174874963
(2E,4E)-3-methylhexa-2,4-dienoyl chloride
CID 58952072
3-methylhexa-2,4-dienoyl chloride
CID 71402233
(E)-2-chlorobut-2-enoyl chloride
CID 21219644
(E)-but-2-enoic acid
CID 637090
pent-3-en-2-one
CID 12248
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
(Z)-but-2-enoic acid;yttrium
CID 58782397

Frequently Asked Questions

What is the IUPAC name of 2-oxopent-3-enoyl chloride?
The IUPAC name of 2-oxopent-3-enoyl chloride (CID 85365025) is 2-oxopent-3-enoyl chloride.
What is the SMILES notation for 2-oxopent-3-enoyl chloride?
The canonical SMILES for 2-oxopent-3-enoyl chloride is CC=CC(=O)C(=O)Cl.
What is the InChIKey of 2-oxopent-3-enoyl chloride?
The InChIKey is CANWLQNYQRZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2/c1-2-3-4(7)5(6)8/h2-3H,1H3.
What are the key properties of 2-oxopent-3-enoyl chloride?
2-oxopent-3-enoyl chloride has a molecular weight of 132.55 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopent-3-enoyl chloride is sourced from PubChem (CID 85365025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).