1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one

C14H11Cl2NO4 — CID 90081953

IUPAC1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2c(Cl)cccc2Cl)c(O)c1O
InChIInChI=1S/C14H11Cl2NO4/c15-7-3-1-4-8(16)10(7)13-11(19)12(20)14(21-13)17-6-2-5-9(17)18/h1,3-4,19-20H,2,5-6H2
InChIKeyHPIKCUHFHRBRTL-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.79
Rot. Bonds2

About 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one

1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (PubChem CID 90081953) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
PubChem CID90081953
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2c(Cl)cccc2Cl)c(O)c1O
InChIInChI=1S/C14H11Cl2NO4/c15-7-3-1-4-8(16)10(7)13-11(19)12(20)14(21-13)17-6-2-5-9(17)18/h1,3-4,19-20H,2,5-6H2
InChIKeyHPIKCUHFHRBRTL-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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Related Compounds

1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
CID 90081608
1-[5-(2,5-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
CID 90081308
1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
CID 90080933
1-[5-(2-chlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
CID 90081399
[5-(4-chloro-3-fluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 90082090
1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one
CID 70514699
1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609152
[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083637
1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140834026
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (CID 90081953) is 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is O=C1CCCN1c1oc(-c2c(Cl)cccc2Cl)c(O)c1O.
What is the InChIKey of 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The InChIKey is HPIKCUHFHRBRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c15-7-3-1-4-8(16)10(7)13-11(19)12(20)14(21-13)17-6-2-5-9(17)18/h1,3-4,19-20H,2,5-6H2.
What are the key properties of 1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
1-[5-(2,6-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-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 90081953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).