methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate

C14H15NO4 — CID 116873450

IUPACmethyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate
SMILESCOC(=O)CC1(c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C14H15NO4/c1-18-13(17)6-14(7-19-8-14)10-2-3-11-9(4-10)5-12(16)15-11/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyWFDOWAYLTAPUNT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.01
Rot. Bonds3

About methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate

methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate (PubChem CID 116873450) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate
PubChem CID116873450
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate
SMILESCOC(=O)CC1(c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C14H15NO4/c1-18-13(17)6-14(7-19-8-14)10-2-3-11-9(4-10)5-12(16)15-11/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyWFDOWAYLTAPUNT-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate (CID 116873450) is methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate is COC(=O)CC1(c2ccc3c(c2)CC(=O)N3)COC1.
What is the InChIKey of methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate?
The InChIKey is WFDOWAYLTAPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-13(17)6-14(7-19-8-14)10-2-3-11-9(4-10)5-12(16)15-11/h2-4H,5-8H2,1H3,(H,15,16).
What are the key properties of methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate?
methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate has a molecular weight of 261.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate is sourced from PubChem (CID 116873450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).