1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione

C14H10ClNO5 — CID 90081399

IUPAC1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2ccccc2Cl)c(O)c1O
InChIInChI=1S/C14H10ClNO5/c15-8-4-2-1-3-7(8)13-11(19)12(20)14(21-13)16-9(17)5-6-10(16)18/h1-4,19-20H,5-6H2
InChIKeyVIKQCTJPSYPVIU-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.66
Rot. Bonds2

About 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione

1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 90081399) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
PubChem CID90081399
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2ccccc2Cl)c(O)c1O
InChIInChI=1S/C14H10ClNO5/c15-8-4-2-1-3-7(8)13-11(19)12(20)14(21-13)16-9(17)5-6-10(16)18/h1-4,19-20H,5-6H2
InChIKeyVIKQCTJPSYPVIU-UHFFFAOYSA-N
XLogP2.66
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (CID 90081399) is 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1oc(-c2ccccc2Cl)c(O)c1O.
What is the InChIKey of 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is VIKQCTJPSYPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-8-4-2-1-3-7(8)13-11(19)12(20)14(21-13)16-9(17)5-6-10(16)18/h1-4,19-20H,5-6H2.
What are the key properties of 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 307.69 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90081399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).