chloroethene;pyrrole-2,5-dione

C6H6ClNO2 — CID 88623046

IUPACchloroethene;pyrrole-2,5-dione
SMILESC=CCl.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H3Cl/c6-3-1-2-4(7)5-3;1-2-3/h1-2H,(H,5,6,7);2H,1H2
InChIKeyLZHLKUJIAZDQCY-UHFFFAOYSA-N
MW159.57 g/mol
LogP0.57
Rot. Bonds

About chloroethene;pyrrole-2,5-dione

chloroethene;pyrrole-2,5-dione (PubChem CID 88623046) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is chloroethene;pyrrole-2,5-dione.

Molecular Properties

Compound Namechloroethene;pyrrole-2,5-dione
PubChem CID88623046
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Namechloroethene;pyrrole-2,5-dione
SMILESC=CCl.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H3Cl/c6-3-1-2-4(7)5-3;1-2-3/h1-2H,(H,5,6,7);2H,1H2
InChIKeyLZHLKUJIAZDQCY-UHFFFAOYSA-N
XLogP0.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Maleimide
CID 10935
Chloromaleimide
CID 16122794
N-2-chloroacetyl acrylamide
CID 20757987
Chloromethylmaleimide
CID 90891674
Maleimide-water
CID 129656466
(1-~2~H)-1H-Pyrrole-2,5-dione
CID 13000228
Pyrrole-2,5-dione;hydrochloride
CID 18790454
Hydron;pyrrole-2,5-dione
CID 19973391
Ethene;pyrrole-2,5-dione
CID 20089621
(E)-but-2-enedioyl dichloride;pyrrole-2,5-dione
CID 20320277
Methane;pyrrole-2,5-dione
CID 21421536
Azane;pyrrole-2,5-dione
CID 22315347

Frequently Asked Questions

What is the IUPAC name of chloroethene;pyrrole-2,5-dione?
The IUPAC name of chloroethene;pyrrole-2,5-dione (CID 88623046) is chloroethene;pyrrole-2,5-dione.
What is the SMILES notation for chloroethene;pyrrole-2,5-dione?
The canonical SMILES for chloroethene;pyrrole-2,5-dione is C=CCl.O=C1C=CC(=O)N1.
What is the InChIKey of chloroethene;pyrrole-2,5-dione?
The InChIKey is LZHLKUJIAZDQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C2H3Cl/c6-3-1-2-4(7)5-3;1-2-3/h1-2H,(H,5,6,7);2H,1H2.
What are the key properties of chloroethene;pyrrole-2,5-dione?
chloroethene;pyrrole-2,5-dione has a molecular weight of 159.57 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;pyrrole-2,5-dione is sourced from PubChem (CID 88623046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).