1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione

C13H15NO2 — CID 69164899

IUPAC1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(CCC2CC2)C2=C1C=CCC2
InChIInChI=1S/C13H15NO2/c15-12-10-3-1-2-4-11(10)14(13(12)16)8-7-9-5-6-9/h1,3,9H,2,4-8H2
InChIKeyVTWMIIARYPNKRL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione

1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione (PubChem CID 69164899) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione
PubChem CID69164899
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(CCC2CC2)C2=C1C=CCC2
InChIInChI=1S/C13H15NO2/c15-12-10-3-1-2-4-11(10)14(13(12)16)8-7-9-5-6-9/h1,3,9H,2,4-8H2
InChIKeyVTWMIIARYPNKRL-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione?
The IUPAC name of 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione (CID 69164899) is 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione.
What is the SMILES notation for 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione?
The canonical SMILES for 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione is O=C1C(=O)N(CCC2CC2)C2=C1C=CCC2.
What is the InChIKey of 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione?
The InChIKey is VTWMIIARYPNKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-10-3-1-2-4-11(10)14(13(12)16)8-7-9-5-6-9/h1,3,9H,2,4-8H2.
What are the key properties of 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione?
1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione has a molecular weight of 217.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-6,7-dihydroindole-2,3-dione is sourced from PubChem (CID 69164899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).