ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate

C15H15NO5 — CID 103484663

IUPACethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C15H15NO5/c1-2-21-13(18)8-7-10(17)9-16-12-6-4-3-5-11(12)14(19)15(16)20/h3-6H,2,7-9H2,1H3
InChIKeyVYHPGUZFRASPSY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.13
Rot. Bonds6

About ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate

ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate (PubChem CID 103484663) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
PubChem CID103484663
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Nameethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C15H15NO5/c1-2-21-13(18)8-7-10(17)9-16-12-6-4-3-5-11(12)14(19)15(16)20/h3-6H,2,7-9H2,1H3
InChIKeyVYHPGUZFRASPSY-UHFFFAOYSA-N
XLogP1.13
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate (CID 103484663) is ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate?
The InChIKey is VYHPGUZFRASPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-21-13(18)8-7-10(17)9-16-12-6-4-3-5-11(12)14(19)15(16)20/h3-6H,2,7-9H2,1H3.
What are the key properties of ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate?
ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate has a molecular weight of 289.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).