3-(1-chloroethenyl)pyrrole-2,5-dione

C6H4ClNO2 — CID 141242374

IUPAC3-(1-chloroethenyl)pyrrole-2,5-dione
SMILESC=C(Cl)C1=CC(=O)NC1=O
InChIInChI=1S/C6H4ClNO2/c1-3(7)4-2-5(9)8-6(4)10/h2H,1H2,(H,8,9,10)
InChIKeyOJRFMSXXIFOCLH-UHFFFAOYSA-N
MW157.56 g/mol
LogP0.32
Rot. Bonds1

About 3-(1-chloroethenyl)pyrrole-2,5-dione

3-(1-chloroethenyl)pyrrole-2,5-dione (PubChem CID 141242374) has the molecular formula C6H4ClNO2 and a molecular weight of 157.56 g/mol. Its IUPAC name is 3-(1-chloroethenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-chloroethenyl)pyrrole-2,5-dione
PubChem CID141242374
Molecular FormulaC6H4ClNO2
Molecular Weight157.56 g/mol
Exact Mass156.99
IUPAC Name3-(1-chloroethenyl)pyrrole-2,5-dione
SMILESC=C(Cl)C1=CC(=O)NC1=O
InChIInChI=1S/C6H4ClNO2/c1-3(7)4-2-5(9)8-6(4)10/h2H,1H2,(H,8,9,10)
InChIKeyOJRFMSXXIFOCLH-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-chloroethenyl)pyrrole-2,5-dione (CID 141242374) is 3-(1-chloroethenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-chloroethenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-chloroethenyl)pyrrole-2,5-dione is C=C(Cl)C1=CC(=O)NC1=O.
What is the InChIKey of 3-(1-chloroethenyl)pyrrole-2,5-dione?
The InChIKey is OJRFMSXXIFOCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2/c1-3(7)4-2-5(9)8-6(4)10/h2H,1H2,(H,8,9,10).
What are the key properties of 3-(1-chloroethenyl)pyrrole-2,5-dione?
3-(1-chloroethenyl)pyrrole-2,5-dione has a molecular weight of 157.56 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethenyl)pyrrole-2,5-dione is sourced from PubChem (CID 141242374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).