1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one

C15H12N2O — CID 10105522

IUPAC1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one
SMILESO=C1c2ccccc2-c2nnc3c(c21)CCCC3
InChIInChI=1S/C15H12N2O/c18-15-10-6-2-1-5-9(10)14-13(15)11-7-3-4-8-12(11)16-17-14/h1-2,5-6H,3-4,7-8H2
InChIKeyMNNBYUNXKZDPLL-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.57
Rot. Bonds

About 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one

1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one (PubChem CID 10105522) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one.

Molecular Properties

Compound Name1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one
PubChem CID10105522
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one
SMILESO=C1c2ccccc2-c2nnc3c(c21)CCCC3
InChIInChI=1S/C15H12N2O/c18-15-10-6-2-1-5-9(10)14-13(15)11-7-3-4-8-12(11)16-17-14/h1-2,5-6H,3-4,7-8H2
InChIKeyMNNBYUNXKZDPLL-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one 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 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one?
The IUPAC name of 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one (CID 10105522) is 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one.
What is the SMILES notation for 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one?
The canonical SMILES for 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one is O=C1c2ccccc2-c2nnc3c(c21)CCCC3.
What is the InChIKey of 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one?
The InChIKey is MNNBYUNXKZDPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-10-6-2-1-5-9(10)14-13(15)11-7-3-4-8-12(11)16-17-14/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one?
1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one has a molecular weight of 236.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroindeno[1,2-c]cinnolin-11-one is sourced from PubChem (CID 10105522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).