2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione

C15H14O3 — CID 568829

IUPAC2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
SMILESCC1C=CC(C)C2(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H14O3/c1-9-7-8-10(2)18-15(9)13(16)11-5-3-4-6-12(11)14(15)17/h3-10H,1-2H3
InChIKeyXZMLAAWYMBJKEE-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.42
Rot. Bonds

About 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione

2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione (PubChem CID 568829) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
PubChem CID568829
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
SMILESCC1C=CC(C)C2(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H14O3/c1-9-7-8-10(2)18-15(9)13(16)11-5-3-4-6-12(11)14(15)17/h3-10H,1-2H3
InChIKeyXZMLAAWYMBJKEE-UHFFFAOYSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
3-(chloromethyl)spiro[oxirane-2,10'-phenanthrene]-9'-one
CID 101474171
(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
(2S,3R)-2-methyl-3-nitrospiro[cyclopropane-1,2'-indene]-1',3'-dione
CID 791392
2-oxapentacyclo[8.7.1.01,3.06,18.011,16]octadeca-6(18),7,9,11,13,15-hexaen-17-one
CID 11448020
(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
CID 13430215
dimethyl (3'S,4'S,5'S)-1,3-dioxo-5'-phenylspiro[indene-2,2'-oxolane]-3',4'-dicarboxylate
CID 102073502
2,2-difluoro-3-methyl-3H-inden-1-one
CID 130383048
spiro[indene-2,2'-oxirane]-1,3-dione
CID 20739732
1a,7a-diaminonaphtho[2,3-b]oxirene-2,7-dione
CID 163884813
spiro[indene-2,3'-oxathiirane]-1,3-dione
CID 102009407
3-hydroxy-3,4-dimethyl-4H-isochromen-1-one
CID 134855236

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The IUPAC name of 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione (CID 568829) is 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione.
What is the SMILES notation for 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The canonical SMILES for 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione is CC1C=CC(C)C2(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The InChIKey is XZMLAAWYMBJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-7-8-10(2)18-15(9)13(16)11-5-3-4-6-12(11)14(15)17/h3-10H,1-2H3.
What are the key properties of 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione has a molecular weight of 242.27 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione is sourced from PubChem (CID 568829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).