methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate

C18H17NO6 — CID 2945501

IUPACmethyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21
InChIInChI=1S/C18H17NO6/c1-11-7-8-15(25-11)14(20)9-18(23)12-5-3-4-6-13(12)19(17(18)22)10-16(21)24-2/h3-8,23H,9-10H2,1-2H3
InChIKeyFVCDSILTNPGDLN-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate

methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate (PubChem CID 2945501) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
PubChem CID2945501
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Namemethyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21
InChIInChI=1S/C18H17NO6/c1-11-7-8-15(25-11)14(20)9-18(23)12-5-3-4-6-13(12)19(17(18)22)10-16(21)24-2/h3-8,23H,9-10H2,1-2H3
InChIKeyFVCDSILTNPGDLN-UHFFFAOYSA-N
XLogP1.57
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate (CID 2945501) is methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21.
What is the InChIKey of methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
The InChIKey is FVCDSILTNPGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-11-7-8-15(25-11)14(20)9-18(23)12-5-3-4-6-13(12)19(17(18)22)10-16(21)24-2/h3-8,23H,9-10H2,1-2H3.
What are the key properties of methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate has a molecular weight of 343.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 2945501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).