ethyl 4-(2-oxoindol-5-yl)oxybutanoate

C14H15NO4 — CID 20552943

IUPACethyl 4-(2-oxoindol-5-yl)oxybutanoate
SMILESCCOC(=O)CCCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)4-3-7-19-11-5-6-12-10(8-11)9-13(16)15-12/h5-6,8-9H,2-4,7H2,1H3
InChIKeyXDSFOZVZLSDWOU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.35
Rot. Bonds6

About ethyl 4-(2-oxoindol-5-yl)oxybutanoate

ethyl 4-(2-oxoindol-5-yl)oxybutanoate (PubChem CID 20552943) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 4-(2-oxoindol-5-yl)oxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2-oxoindol-5-yl)oxybutanoate
PubChem CID20552943
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 4-(2-oxoindol-5-yl)oxybutanoate
SMILESCCOC(=O)CCCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)4-3-7-19-11-5-6-12-10(8-11)9-13(16)15-12/h5-6,8-9H,2-4,7H2,1H3
InChIKeyXDSFOZVZLSDWOU-UHFFFAOYSA-N
XLogP0.35
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxoindol-5-yl)oxybutanoate?
The IUPAC name of ethyl 4-(2-oxoindol-5-yl)oxybutanoate (CID 20552943) is ethyl 4-(2-oxoindol-5-yl)oxybutanoate.
What is the SMILES notation for ethyl 4-(2-oxoindol-5-yl)oxybutanoate?
The canonical SMILES for ethyl 4-(2-oxoindol-5-yl)oxybutanoate is CCOC(=O)CCCOc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of ethyl 4-(2-oxoindol-5-yl)oxybutanoate?
The InChIKey is XDSFOZVZLSDWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-18-14(17)4-3-7-19-11-5-6-12-10(8-11)9-13(16)15-12/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of ethyl 4-(2-oxoindol-5-yl)oxybutanoate?
ethyl 4-(2-oxoindol-5-yl)oxybutanoate has a molecular weight of 261.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxoindol-5-yl)oxybutanoate is sourced from PubChem (CID 20552943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).