imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium

C11H9N4O2+ — CID 6333413

IUPACimino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium
SMILESCc1c(N=[N+]=N)c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C11H8N4O2/c1-6-9(14-15-12)11(17)13-8-5-3-2-4-7(8)10(6)16/h2-5,12H,1H3/p+1
InChIKeyAMHKTIDQHXYAIH-UHFFFAOYSA-O
MW229.22 g/mol
LogP1.38
Rot. Bonds1

About imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium

imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium (PubChem CID 6333413) has the molecular formula C11H9N4O2+ and a molecular weight of 229.22 g/mol. Its IUPAC name is imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium.

Molecular Properties

Compound Nameimino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium
PubChem CID6333413
Molecular FormulaC11H9N4O2+
Molecular Weight229.22 g/mol
Exact Mass229.07
IUPAC Nameimino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium
SMILESCc1c(N=[N+]=N)c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C11H8N4O2/c1-6-9(14-15-12)11(17)13-8-5-3-2-4-7(8)10(6)16/h2-5,12H,1H3/p+1
InChIKeyAMHKTIDQHXYAIH-UHFFFAOYSA-O
XLogP1.38
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

imino-[(9-oxo-10H-acridin-2-yl)imino]azanium
CID 6332797
3-methyl-2-nitroso-1H-quinolin-4-one
CID 142851459
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-[4-(2,2-dimethylpropoxy)butoxymethyl]-3-methyl-1H-quinolin-4-one
CID 59527187
2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
CID 102596896
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082

Frequently Asked Questions

What is the IUPAC name of imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium?
The IUPAC name of imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium (CID 6333413) is imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium.
What is the SMILES notation for imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium?
The canonical SMILES for imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium is Cc1c(N=[N+]=N)c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium?
The InChIKey is AMHKTIDQHXYAIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8N4O2/c1-6-9(14-15-12)11(17)13-8-5-3-2-4-7(8)10(6)16/h2-5,12H,1H3/p+1.
What are the key properties of imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium?
imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium has a molecular weight of 229.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium is sourced from PubChem (CID 6333413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).