[1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate

C14H15NO4 — CID 3132850

IUPAC[1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate
SMILESCC(=O)CC1(OC(C)=O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-9(16)8-14(19-10(2)17)11-6-4-5-7-12(11)15(3)13(14)18/h4-7H,8H2,1-3H3
InChIKeyUUOCWINRTUMHAS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds3

About [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate

[1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate (PubChem CID 3132850) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate.

Molecular Properties

Compound Name[1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate
PubChem CID3132850
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate
SMILESCC(=O)CC1(OC(C)=O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-9(16)8-14(19-10(2)17)11-6-4-5-7-12(11)15(3)13(14)18/h4-7H,8H2,1-3H3
InChIKeyUUOCWINRTUMHAS-UHFFFAOYSA-N
XLogP1.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate?
The IUPAC name of [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate (CID 3132850) is [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate.
What is the SMILES notation for [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate?
The canonical SMILES for [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate is CC(=O)CC1(OC(C)=O)C(=O)N(C)c2ccccc21.
What is the InChIKey of [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate?
The InChIKey is UUOCWINRTUMHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(16)8-14(19-10(2)17)11-6-4-5-7-12(11)15(3)13(14)18/h4-7H,8H2,1-3H3.
What are the key properties of [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate?
[1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate has a molecular weight of 261.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-oxo-3-(2-oxopropyl)indol-3-yl] acetate is sourced from PubChem (CID 3132850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).