9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C16H12N2O — CID 11288114

IUPAC9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESNc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H12N2O/c17-10-5-6-11-9(7-10)8-14-12-3-1-2-4-13(12)16(19)18-15(11)14/h1-7H,8,17H2,(H,18,19)
InChIKeyBIBLEFNXUYTZIB-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.68
Rot. Bonds

About 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 11288114) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID11288114
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESNc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H12N2O/c17-10-5-6-11-9(7-10)8-14-12-3-1-2-4-13(12)16(19)18-15(11)14/h1-7H,8,17H2,(H,18,19)
InChIKeyBIBLEFNXUYTZIB-UHFFFAOYSA-N
XLogP2.68
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(9-Oxofluoren-3-yl)acetamide
CID 95793
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531

Frequently Asked Questions

What is the IUPAC name of 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 11288114) is 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12.
What is the InChIKey of 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is BIBLEFNXUYTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-10-5-6-11-9(7-10)8-14-12-3-1-2-4-13(12)16(19)18-15(11)14/h1-7H,8,17H2,(H,18,19).
What are the key properties of 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 248.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 11288114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).