2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione

C16H15NO5 — CID 11055719

IUPAC2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(C)(/C=C2\C(=O)Nc3ccccc32)C(=O)O1
InChIInChI=1S/C16H15NO5/c1-15(2)21-13(19)16(3,14(20)22-15)8-10-9-6-4-5-7-11(9)17-12(10)18/h4-8H,1-3H3,(H,17,18)/b10-8-
InChIKeySBDBCASNQFFMHB-NTMALXAHSA-N
MW301.30 g/mol
LogP1.86
Rot. Bonds1

About 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione

2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione (PubChem CID 11055719) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione
PubChem CID11055719
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(C)(/C=C2\C(=O)Nc3ccccc32)C(=O)O1
InChIInChI=1S/C16H15NO5/c1-15(2)21-13(19)16(3,14(20)22-15)8-10-9-6-4-5-7-11(9)17-12(10)18/h4-8H,1-3H3,(H,17,18)/b10-8-
InChIKeySBDBCASNQFFMHB-NTMALXAHSA-N
XLogP1.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892
(3E)-3-(3-methylbutylidene)-1H-indol-2-one
CID 6989941
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888
CID 57369962
CID 57369962
3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
CID 54199953
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione (CID 11055719) is 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(C)(/C=C2\C(=O)Nc3ccccc32)C(=O)O1.
What is the InChIKey of 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione?
The InChIKey is SBDBCASNQFFMHB-NTMALXAHSA-N. The full InChI is InChI=1S/C16H15NO5/c1-15(2)21-13(19)16(3,14(20)22-15)8-10-9-6-4-5-7-11(9)17-12(10)18/h4-8H,1-3H3,(H,17,18)/b10-8-.
What are the key properties of 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione?
2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione has a molecular weight of 301.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 11055719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).