2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione

C15H13NO5 — CID 19167926

IUPAC2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione
SMILESCN1C(=O)C(=C2C(=O)OC(C)(C)OC2=O)c2ccccc21
InChIInChI=1S/C15H13NO5/c1-15(2)20-13(18)11(14(19)21-15)10-8-6-4-5-7-9(8)16(3)12(10)17/h4-7H,1-3H3
InChIKeyYURUBYKSNBHFRF-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.25
Rot. Bonds

About 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione

2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione (PubChem CID 19167926) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione
PubChem CID19167926
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione
SMILESCN1C(=O)C(=C2C(=O)OC(C)(C)OC2=O)c2ccccc21
InChIInChI=1S/C15H13NO5/c1-15(2)20-13(18)11(14(19)21-15)10-8-6-4-5-7-9(8)16(3)12(10)17/h4-7H,1-3H3
InChIKeyYURUBYKSNBHFRF-UHFFFAOYSA-N
XLogP1.25
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione (CID 19167926) is 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione is CN1C(=O)C(=C2C(=O)OC(C)(C)OC2=O)c2ccccc21.
What is the InChIKey of 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione?
The InChIKey is YURUBYKSNBHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-15(2)20-13(18)11(14(19)21-15)10-8-6-4-5-7-9(8)16(3)12(10)17/h4-7H,1-3H3.
What are the key properties of 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione has a molecular weight of 287.27 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-dioxane-4,6-dione is sourced from PubChem (CID 19167926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).