cyclohexatrienyl(indol-1-yl)methanone

C15H10NO+ — CID 176766497

IUPACcyclohexatrienyl(indol-1-yl)methanone
SMILESO=C(C1=CC=[C+]C=C1)n1ccc2ccccc21
InChIInChI=1S/C15H10NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h2-11H/q+1
InChIKeyHTIUZHUQEQWUNO-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.14
Rot. Bonds1

About cyclohexatrienyl(indol-1-yl)methanone

cyclohexatrienyl(indol-1-yl)methanone (PubChem CID 176766497) has the molecular formula C15H10NO+ and a molecular weight of 220.25 g/mol. Its IUPAC name is cyclohexatrienyl(indol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexatrienyl(indol-1-yl)methanone
PubChem CID176766497
Molecular FormulaC15H10NO+
Molecular Weight220.25 g/mol
Exact Mass220.08
IUPAC Namecyclohexatrienyl(indol-1-yl)methanone
SMILESO=C(C1=CC=[C+]C=C1)n1ccc2ccccc21
InChIInChI=1S/C15H10NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h2-11H/q+1
InChIKeyHTIUZHUQEQWUNO-UHFFFAOYSA-N
XLogP3.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexatrienyl(indol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexatrienyl(indol-1-yl)methanone?
The IUPAC name of cyclohexatrienyl(indol-1-yl)methanone (CID 176766497) is cyclohexatrienyl(indol-1-yl)methanone.
What is the SMILES notation for cyclohexatrienyl(indol-1-yl)methanone?
The canonical SMILES for cyclohexatrienyl(indol-1-yl)methanone is O=C(C1=CC=[C+]C=C1)n1ccc2ccccc21.
What is the InChIKey of cyclohexatrienyl(indol-1-yl)methanone?
The InChIKey is HTIUZHUQEQWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h2-11H/q+1.
What are the key properties of cyclohexatrienyl(indol-1-yl)methanone?
cyclohexatrienyl(indol-1-yl)methanone has a molecular weight of 220.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexatrienyl(indol-1-yl)methanone is sourced from PubChem (CID 176766497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).