1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one

C14H11Cl2NO4 — CID 90081308

IUPAC1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2cc(Cl)ccc2Cl)c(O)c1O
InChIInChI=1S/C14H11Cl2NO4/c15-7-3-4-9(16)8(6-7)13-11(19)12(20)14(21-13)17-5-1-2-10(17)18/h3-4,6,19-20H,1-2,5H2
InChIKeyORJWUBSZMZFTJW-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.79
Rot. Bonds2

About 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one

1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (PubChem CID 90081308) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
PubChem CID90081308
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2cc(Cl)ccc2Cl)c(O)c1O
InChIInChI=1S/C14H11Cl2NO4/c15-7-3-4-9(16)8(6-7)13-11(19)12(20)14(21-13)17-5-1-2-10(17)18/h3-4,6,19-20H,1-2,5H2
InChIKeyORJWUBSZMZFTJW-UHFFFAOYSA-N
XLogP3.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (CID 90081308) is 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is O=C1CCCN1c1oc(-c2cc(Cl)ccc2Cl)c(O)c1O.
What is the InChIKey of 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The InChIKey is ORJWUBSZMZFTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c15-7-3-4-9(16)8(6-7)13-11(19)12(20)14(21-13)17-5-1-2-10(17)18/h3-4,6,19-20H,1-2,5H2.
What are the key properties of 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one has a molecular weight of 328.15 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 90081308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).