ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate

C14H17NO3 — CID 22931351

IUPACethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
SMILESCCOC(=O)CCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)5-3-4-10-6-7-12-11(8-10)9-13(16)15-12/h6-8H,2-5,9H2,1H3,(H,15,16)
InChIKeyZFWSQVYPPZHFQI-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.07
Rot. Bonds5

About ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate

ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate (PubChem CID 22931351) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
PubChem CID22931351
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
SMILESCCOC(=O)CCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)5-3-4-10-6-7-12-11(8-10)9-13(16)15-12/h6-8H,2-5,9H2,1H3,(H,15,16)
InChIKeyZFWSQVYPPZHFQI-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
The IUPAC name of ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate (CID 22931351) is ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
The canonical SMILES for ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate is CCOC(=O)CCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
The InChIKey is ZFWSQVYPPZHFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-14(17)5-3-4-10-6-7-12-11(8-10)9-13(16)15-12/h6-8H,2-5,9H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate has a molecular weight of 247.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-1,3-dihydroindol-5-yl)butanoate is sourced from PubChem (CID 22931351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).