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

C16H17NO6 — CID 90080933

IUPAC1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(-c2oc(N3CCCC3=O)c(O)c2O)cc1OC
InChIInChI=1S/C16H17NO6/c1-21-10-6-5-9(8-11(10)22-2)15-13(19)14(20)16(23-15)17-7-3-4-12(17)18/h5-6,8,19-20H,3-4,7H2,1-2H3
InChIKeyLVIWQBJEWIEVSM-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.50
Rot. Bonds4

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

1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (PubChem CID 90080933) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
PubChem CID90080933
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(-c2oc(N3CCCC3=O)c(O)c2O)cc1OC
InChIInChI=1S/C16H17NO6/c1-21-10-6-5-9(8-11(10)22-2)15-13(19)14(20)16(23-15)17-7-3-4-12(17)18/h5-6,8,19-20H,3-4,7H2,1-2H3
InChIKeyLVIWQBJEWIEVSM-UHFFFAOYSA-N
XLogP2.50
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (CID 90080933) is 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is COc1ccc(-c2oc(N3CCCC3=O)c(O)c2O)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The InChIKey is LVIWQBJEWIEVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-21-10-6-5-9(8-11(10)22-2)15-13(19)14(20)16(23-15)17-7-3-4-12(17)18/h5-6,8,19-20H,3-4,7H2,1-2H3.
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one has a molecular weight of 319.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 90080933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).