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

C16H10N2O3 — CID 25190930

IUPAC9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C16H10N2O3/c19-16-13-4-2-1-3-12(13)14-8-9-7-10(18(20)21)5-6-11(9)15(14)17-16/h1-7H,8H2,(H,17,19)
InChIKeyUEMVQJCVVOFVCZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.01
Rot. Bonds1

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

9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 25190930) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID25190930
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C16H10N2O3/c19-16-13-4-2-1-3-12(13)14-8-9-7-10(18(20)21)5-6-11(9)15(14)17-16/h1-7H,8H2,(H,17,19)
InChIKeyUEMVQJCVVOFVCZ-UHFFFAOYSA-N
XLogP3.01
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 25190930) is 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3ccccc13)Cc1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is UEMVQJCVVOFVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-16-13-4-2-1-3-12(13)14-8-9-7-10(18(20)21)5-6-11(9)15(14)17-16/h1-7H,8H2,(H,17,19).
What are the key properties of 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 278.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 25190930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).