ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate

C18H17NO6 — CID 2885014

IUPACethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H17NO6/c1-2-24-16(21)11-19-13-7-4-3-6-12(13)18(23,17(19)22)10-14(20)15-8-5-9-25-15/h3-9,23H,2,10-11H2,1H3
InChIKeyVZYFQOIINYECGT-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.65
Rot. Bonds6

About ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate

ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate (PubChem CID 2885014) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
PubChem CID2885014
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Nameethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H17NO6/c1-2-24-16(21)11-19-13-7-4-3-6-12(13)18(23,17(19)22)10-14(20)15-8-5-9-25-15/h3-9,23H,2,10-11H2,1H3
InChIKeyVZYFQOIINYECGT-UHFFFAOYSA-N
XLogP1.65
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate (CID 2885014) is ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
The InChIKey is VZYFQOIINYECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-2-24-16(21)11-19-13-7-4-3-6-12(13)18(23,17(19)22)10-14(20)15-8-5-9-25-15/h3-9,23H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate has a molecular weight of 343.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 2885014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).