1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione

C15H11NO5 — CID 62023854

IUPAC1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)c1ccco1
InChIInChI=1S/C15H11NO5/c1-20-9-4-5-11-10(7-9)14(18)15(19)16(11)8-12(17)13-3-2-6-21-13/h2-7H,8H2,1H3
InChIKeyXUMOZNRXZTUDCS-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione

1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione (PubChem CID 62023854) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
PubChem CID62023854
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)c1ccco1
InChIInChI=1S/C15H11NO5/c1-20-9-4-5-11-10(7-9)14(18)15(19)16(11)8-12(17)13-3-2-6-21-13/h2-7H,8H2,1H3
InChIKeyXUMOZNRXZTUDCS-UHFFFAOYSA-N
XLogP1.70
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62024581
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione?
The IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione (CID 62023854) is 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione?
The canonical SMILES for 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione?
The InChIKey is XUMOZNRXZTUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-20-9-4-5-11-10(7-9)14(18)15(19)16(11)8-12(17)13-3-2-6-21-13/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione?
1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione has a molecular weight of 285.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione is sourced from PubChem (CID 62023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).