2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione

C15H14N2O5 — CID 70925435

IUPAC2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione
SMILESCn1ncc2cc(C(=O)C3C(=O)OC(C)(C)OC3=O)ccc21
InChIInChI=1S/C15H14N2O5/c1-15(2)21-13(19)11(14(20)22-15)12(18)8-4-5-10-9(6-8)7-16-17(10)3/h4-7,11H,1-3H3
InChIKeyNDIKGGGDCKIJMB-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.21
Rot. Bonds2

About 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione

2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione (PubChem CID 70925435) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione
PubChem CID70925435
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione
SMILESCn1ncc2cc(C(=O)C3C(=O)OC(C)(C)OC3=O)ccc21
InChIInChI=1S/C15H14N2O5/c1-15(2)21-13(19)11(14(20)22-15)12(18)8-4-5-10-9(6-8)7-16-17(10)3/h4-7,11H,1-3H3
InChIKeyNDIKGGGDCKIJMB-UHFFFAOYSA-N
XLogP1.21
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

(1-Methylindazol-5-yl)-(1-propyl-3-piperidyl)methanone
CID 121479159
Methyl 1-methyl-1H-indazole-5-carboxylate
CID 37818676
(4-Fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
CID 21894743
Ethyl 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylate
CID 58398110
1-[1-[(4-Fluorophenyl)methyl]indazol-5-yl]ethanone
CID 59625983
1-[1-[(4-Fluorophenyl)methyl]indazol-5-yl]propan-1-one
CID 69913278
(2,4-Difluorophenyl)-(1-methylindazol-5-yl)methanone
CID 85994053
1-[1-[(4-Fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one
CID 91507457
2-[1-[(4-Fluorophenyl)methyl]indazol-5-yl]-2-oxoacetic acid
CID 117975371
Methyl 2-[2-[(4-fluorophenyl)methyl]indazol-5-yl]-2-oxoacetate
CID 117975869
Methyl 2-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-oxoacetate
CID 117975880
1-[1-(Difluoromethyl)indazol-5-yl]ethanone
CID 175614850

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione (CID 70925435) is 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione is Cn1ncc2cc(C(=O)C3C(=O)OC(C)(C)OC3=O)ccc21.
What is the InChIKey of 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione?
The InChIKey is NDIKGGGDCKIJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-15(2)21-13(19)11(14(20)22-15)12(18)8-4-5-10-9(6-8)7-16-17(10)3/h4-7,11H,1-3H3.
What are the key properties of 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione has a molecular weight of 302.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1-methylindazole-5-carbonyl)-1,3-dioxane-4,6-dione is sourced from PubChem (CID 70925435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).