methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate

C16H19NO4 — CID 11471789

IUPACmethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate
SMILESCOC(=O)C(CC(C)=O)C1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-10(18)9-12(14(19)21-4)16(2)11-7-5-6-8-13(11)17(3)15(16)20/h5-8,12H,9H2,1-4H3
InChIKeyPEYGHWTZHIYYFL-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.69
Rot. Bonds4

About methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate

methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate (PubChem CID 11471789) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate
PubChem CID11471789
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate
SMILESCOC(=O)C(CC(C)=O)C1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-10(18)9-12(14(19)21-4)16(2)11-7-5-6-8-13(11)17(3)15(16)20/h5-8,12H,9H2,1-4H3
InChIKeyPEYGHWTZHIYYFL-UHFFFAOYSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
The IUPAC name of methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate (CID 11471789) is methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate.
What is the SMILES notation for methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
The canonical SMILES for methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate is COC(=O)C(CC(C)=O)C1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
The InChIKey is PEYGHWTZHIYYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(18)9-12(14(19)21-4)16(2)11-7-5-6-8-13(11)17(3)15(16)20/h5-8,12H,9H2,1-4H3.
What are the key properties of methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate has a molecular weight of 289.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate is sourced from PubChem (CID 11471789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).