1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C10H7Cl2NO3S — CID 9373119

IUPAC1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl2NO3S/c11-7-3-5(10(12)17-7)6(14)4-13-8(15)1-2-9(13)16/h3H,1-2,4H2
InChIKeyVYVGWDFFCCTXCT-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 9373119) has the molecular formula C10H7Cl2NO3S and a molecular weight of 292.14 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID9373119
Molecular FormulaC10H7Cl2NO3S
Molecular Weight292.14 g/mol
Exact Mass290.95
IUPAC Name1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl2NO3S/c11-7-3-5(10(12)17-7)6(14)4-13-8(15)1-2-9(13)16/h3H,1-2,4H2
InChIKeyVYVGWDFFCCTXCT-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 9373119) is 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is VYVGWDFFCCTXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3S/c11-7-3-5(10(12)17-7)6(14)4-13-8(15)1-2-9(13)16/h3H,1-2,4H2.
What are the key properties of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 292.14 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 9373119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).