5,5-dichloro-3-oxopent-4-enamide

C5H5Cl2NO2 — CID 22139443

IUPAC5,5-dichloro-3-oxopent-4-enamide
SMILESNC(=O)CC(=O)C=C(Cl)Cl
InChIInChI=1S/C5H5Cl2NO2/c6-4(7)1-3(9)2-5(8)10/h1H,2H2,(H2,8,10)
InChIKeyQGCJONQHDFZYDH-UHFFFAOYSA-N
MW182.01 g/mol
LogP0.75
Rot. Bonds3

About 5,5-dichloro-3-oxopent-4-enamide

5,5-dichloro-3-oxopent-4-enamide (PubChem CID 22139443) has the molecular formula C5H5Cl2NO2 and a molecular weight of 182.01 g/mol. Its IUPAC name is 5,5-dichloro-3-oxopent-4-enamide.

Molecular Properties

Compound Name5,5-dichloro-3-oxopent-4-enamide
PubChem CID22139443
Molecular FormulaC5H5Cl2NO2
Molecular Weight182.01 g/mol
Exact Mass180.97
IUPAC Name5,5-dichloro-3-oxopent-4-enamide
SMILESNC(=O)CC(=O)C=C(Cl)Cl
InChIInChI=1S/C5H5Cl2NO2/c6-4(7)1-3(9)2-5(8)10/h1H,2H2,(H2,8,10)
InChIKeyQGCJONQHDFZYDH-UHFFFAOYSA-N
XLogP0.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.01
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-3-oxopent-4-enamide?
The IUPAC name of 5,5-dichloro-3-oxopent-4-enamide (CID 22139443) is 5,5-dichloro-3-oxopent-4-enamide.
What is the SMILES notation for 5,5-dichloro-3-oxopent-4-enamide?
The canonical SMILES for 5,5-dichloro-3-oxopent-4-enamide is NC(=O)CC(=O)C=C(Cl)Cl.
What is the InChIKey of 5,5-dichloro-3-oxopent-4-enamide?
The InChIKey is QGCJONQHDFZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NO2/c6-4(7)1-3(9)2-5(8)10/h1H,2H2,(H2,8,10).
What are the key properties of 5,5-dichloro-3-oxopent-4-enamide?
5,5-dichloro-3-oxopent-4-enamide has a molecular weight of 182.01 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-3-oxopent-4-enamide is sourced from PubChem (CID 22139443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).