4-cyclopropyl-1-methylindole-2,3-dione

C12H11NO2 — CID 66788680

IUPAC4-cyclopropyl-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2c(C3CC3)cccc21
InChIInChI=1S/C12H11NO2/c1-13-9-4-2-3-8(7-5-6-7)10(9)11(14)12(13)15/h2-4,7H,5-6H2,1H3
InChIKeyPWXBJNQEWYXGJY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.72
Rot. Bonds1

About 4-cyclopropyl-1-methylindole-2,3-dione

4-cyclopropyl-1-methylindole-2,3-dione (PubChem CID 66788680) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-cyclopropyl-1-methylindole-2,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-1-methylindole-2,3-dione
PubChem CID66788680
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name4-cyclopropyl-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2c(C3CC3)cccc21
InChIInChI=1S/C12H11NO2/c1-13-9-4-2-3-8(7-5-6-7)10(9)11(14)12(13)15/h2-4,7H,5-6H2,1H3
InChIKeyPWXBJNQEWYXGJY-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-methylindole-2,3-dione?
The IUPAC name of 4-cyclopropyl-1-methylindole-2,3-dione (CID 66788680) is 4-cyclopropyl-1-methylindole-2,3-dione.
What is the SMILES notation for 4-cyclopropyl-1-methylindole-2,3-dione?
The canonical SMILES for 4-cyclopropyl-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2c(C3CC3)cccc21.
What is the InChIKey of 4-cyclopropyl-1-methylindole-2,3-dione?
The InChIKey is PWXBJNQEWYXGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13-9-4-2-3-8(7-5-6-7)10(9)11(14)12(13)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 4-cyclopropyl-1-methylindole-2,3-dione?
4-cyclopropyl-1-methylindole-2,3-dione has a molecular weight of 201.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methylindole-2,3-dione is sourced from PubChem (CID 66788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).