3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid

C17H15NO6 — CID 68743915

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1oc(COCc2ccccc2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C17H15NO6/c19-14-6-7-15(20)18(14)13-8-12(24-16(13)17(21)22)10-23-9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,21,22)
InChIKeyYRIXIHSRDWNRSG-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.35
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid

3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid (PubChem CID 68743915) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid
PubChem CID68743915
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1oc(COCc2ccccc2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C17H15NO6/c19-14-6-7-15(20)18(14)13-8-12(24-16(13)17(21)22)10-23-9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,21,22)
InChIKeyYRIXIHSRDWNRSG-UHFFFAOYSA-N
XLogP2.35
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde
CID 53341635
acetic acid;phenylmethoxymethylbenzene
CID 175214238
chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
CID 143480829
5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one
CID 123835412
2-(phenylmethoxymethyl)-5-[5-(phenylmethoxymethyl)furan-2-yl]furan
CID 102127806
benzyl 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888142
CID 66734377
CID 66734377
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
(2,5-dioxopyrrolidin-1-yl) 3,3-dimethyl-4-phenylmethoxybutanoate
CID 122360016
5-(phenylmethoxymethyl)furan-3-carbohydrazide
CID 55213199

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid (CID 68743915) is 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid is O=C(O)c1oc(COCc2ccccc2)cc1N1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid?
The InChIKey is YRIXIHSRDWNRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c19-14-6-7-15(20)18(14)13-8-12(24-16(13)17(21)22)10-23-9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,21,22).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid?
3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid has a molecular weight of 329.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-5-(phenylmethoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 68743915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).