(4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate

C15H16O4 — CID 139642993

IUPAC(4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate
SMILESCCc1cccc2c1C(=O)C(OC(=O)C(C)C)C2=O
InChIInChI=1S/C15H16O4/c1-4-9-6-5-7-10-11(9)13(17)14(12(10)16)19-15(18)8(2)3/h5-8,14H,4H2,1-3H3
InChIKeyFMMIWJKHRQXPPF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.20
Rot. Bonds3

About (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate

(4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate (PubChem CID 139642993) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate
PubChem CID139642993
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate
SMILESCCc1cccc2c1C(=O)C(OC(=O)C(C)C)C2=O
InChIInChI=1S/C15H16O4/c1-4-9-6-5-7-10-11(9)13(17)14(12(10)16)19-15(18)8(2)3/h5-8,14H,4H2,1-3H3
InChIKeyFMMIWJKHRQXPPF-UHFFFAOYSA-N
XLogP2.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-1,3-dioxoinden-2-yl) 2-methylpropanoate
CID 139638136
(4-acetyloxy-1,3-dioxoinden-2-yl) 2-methylpropanoate
CID 139638217
[4-[(4-methoxyphenyl)methoxy]-1,3-dioxoinden-2-yl] 2-methylpropanoate
CID 139638140
ethyl 4-ethyl-1,3-dioxoisoindole-2-carboxylate
CID 154222637
4-ethyl-2-propan-2-ylisoindole-1,3-dione
CID 166113919
methyl 2-(8-ethyl-4-oxo-2,3-dihydrochromen-3-yl)-2-oxoacetate
CID 82090716
(4-octyl-1,3-dioxoinden-2-yl)methyl 2-hydroxyacetate
CID 141160913
7,9-bis(2,6-diethylphenyl)-8-methyl-8H-acenaphthyleno[1,2-d]imidazole-7,9-diium;methyl 2-methylpropanoate
CID 123260120
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
1-(3-methyl-2-oxobutyl)anthracene-9,10-dione
CID 143724181
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 130030444

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate?
The IUPAC name of (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate (CID 139642993) is (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate.
What is the SMILES notation for (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate?
The canonical SMILES for (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate is CCc1cccc2c1C(=O)C(OC(=O)C(C)C)C2=O.
What is the InChIKey of (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate?
The InChIKey is FMMIWJKHRQXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-9-6-5-7-10-11(9)13(17)14(12(10)16)19-15(18)8(2)3/h5-8,14H,4H2,1-3H3.
What are the key properties of (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate?
(4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate has a molecular weight of 260.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,3-dioxoinden-2-yl) 2-methylpropanoate is sourced from PubChem (CID 139642993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).