(11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium

C17H14N2O+2 — CID 59429802

IUPAC(11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium
SMILES[NH3+]C[n+]1cc2ccccc2c2c1-c1ccccc1C2=O
InChIInChI=1S/C17H13N2O/c18-10-19-9-11-5-1-2-6-12(11)15-16(19)13-7-3-4-8-14(13)17(15)20/h1-9H,10,18H2/q+1/p+1
InChIKeyWSZIJVWUGFKWEV-UHFFFAOYSA-O
MW262.31 g/mol
LogP1.54
Rot. Bonds1

About (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium

(11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium (PubChem CID 59429802) has the molecular formula C17H14N2O+2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium.

Molecular Properties

Compound Name(11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium
PubChem CID59429802
Molecular FormulaC17H14N2O+2
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium
SMILES[NH3+]C[n+]1cc2ccccc2c2c1-c1ccccc1C2=O
InChIInChI=1S/C17H13N2O/c18-10-19-9-11-5-1-2-6-12(11)15-16(19)13-7-3-4-8-14(13)17(15)20/h1-9H,10,18H2/q+1/p+1
InChIKeyWSZIJVWUGFKWEV-UHFFFAOYSA-O
XLogP1.54
TPSA48.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

benzo[c]fluoren-7-one
CID 22413
5-phenylbenzo[b]fluoren-11-one
CID 10494864
6-methylbenzo[a]anthracene-7,12-dione
CID 12934886
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
6,11-dioxotetracene-5,12-diolate
CID 102258482
6-triethylsilylbenzo[c]fluoren-7-one
CID 11484728
benzo[a]tetracene-8,13-dione
CID 628034
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512

Frequently Asked Questions

What is the IUPAC name of (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium?
The IUPAC name of (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium (CID 59429802) is (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium.
What is the SMILES notation for (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium?
The canonical SMILES for (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium is [NH3+]C[n+]1cc2ccccc2c2c1-c1ccccc1C2=O.
What is the InChIKey of (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium?
The InChIKey is WSZIJVWUGFKWEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H13N2O/c18-10-19-9-11-5-1-2-6-12(11)15-16(19)13-7-3-4-8-14(13)17(15)20/h1-9H,10,18H2/q+1/p+1.
What are the key properties of (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium?
(11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium has a molecular weight of 262.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11-oxoindeno[1,2-c]isoquinolin-6-ium-6-yl)methylazanium is sourced from PubChem (CID 59429802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).