7-(3-methylbut-2-enyl)-1H-indole-2,3-dione

C13H13NO2 — CID 122397888

IUPAC7-(3-methylbut-2-enyl)-1H-indole-2,3-dione
SMILESCC(C)=CCc1cccc2c1NC(=O)C2=O
InChIInChI=1S/C13H13NO2/c1-8(2)6-7-9-4-3-5-10-11(9)14-13(16)12(10)15/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyPNLFSENKVNKKSE-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.33
Rot. Bonds2

About 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione

7-(3-methylbut-2-enyl)-1H-indole-2,3-dione (PubChem CID 122397888) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-(3-methylbut-2-enyl)-1H-indole-2,3-dione
PubChem CID122397888
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name7-(3-methylbut-2-enyl)-1H-indole-2,3-dione
SMILESCC(C)=CCc1cccc2c1NC(=O)C2=O
InChIInChI=1S/C13H13NO2/c1-8(2)6-7-9-4-3-5-10-11(9)14-13(16)12(10)15/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyPNLFSENKVNKKSE-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione?
The IUPAC name of 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione (CID 122397888) is 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione.
What is the SMILES notation for 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione?
The canonical SMILES for 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione is CC(C)=CCc1cccc2c1NC(=O)C2=O.
What is the InChIKey of 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione?
The InChIKey is PNLFSENKVNKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8(2)6-7-9-4-3-5-10-11(9)14-13(16)12(10)15/h3-6H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione?
7-(3-methylbut-2-enyl)-1H-indole-2,3-dione has a molecular weight of 215.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbut-2-enyl)-1H-indole-2,3-dione is sourced from PubChem (CID 122397888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).