(1,3-dioxoinden-2-ylidene)-iminoazanium

C9H5N2O2+ — CID 6333107

IUPAC(1,3-dioxoinden-2-ylidene)-iminoazanium
SMILESN=[N+]=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H5N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4,10H/q+1
InChIKeyUQBDQIAFGSCQHS-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.42
Rot. Bonds

About (1,3-dioxoinden-2-ylidene)-iminoazanium

(1,3-dioxoinden-2-ylidene)-iminoazanium (PubChem CID 6333107) has the molecular formula C9H5N2O2+ and a molecular weight of 173.15 g/mol. Its IUPAC name is (1,3-dioxoinden-2-ylidene)-iminoazanium.

Molecular Properties

Compound Name(1,3-dioxoinden-2-ylidene)-iminoazanium
PubChem CID6333107
Molecular FormulaC9H5N2O2+
Molecular Weight173.15 g/mol
Exact Mass173.03
IUPAC Name(1,3-dioxoinden-2-ylidene)-iminoazanium
SMILESN=[N+]=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H5N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4,10H/q+1
InChIKeyUQBDQIAFGSCQHS-UHFFFAOYSA-N
XLogP-0.42
TPSA72.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,3-Indandione
CID 11815
Indan-1,2,3-trione
CID 70309
2-(Dicyanomethylene)indan-1,3-dione
CID 542782
2-(Hydroxyimino)-2,3-dihydro-1H-inden-1-one
CID 6399489
(Z)-N-(1-oxo-1H-inden-2(3H)-ylidene)methanamine oxide
CID 660555
2-Diazo-1-indanone
CID 568424
(2E)-2-hydroxyimino-3H-inden-1-one
CID 6401247
2-(Hydroxyimino)-1H-indene-1,3(2H)-dione
CID 316190
5H-Indeno(1,2-c)pyridazine-3(2H),5-dione
CID 3067299
2-Oximino-1-indanone
CID 6399038
(1Z)-1-diazoanthracene-2,9,10-trione
CID 135504237
2-Diazoindane-1,3-dione
CID 4174836

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoinden-2-ylidene)-iminoazanium?
The IUPAC name of (1,3-dioxoinden-2-ylidene)-iminoazanium (CID 6333107) is (1,3-dioxoinden-2-ylidene)-iminoazanium.
What is the SMILES notation for (1,3-dioxoinden-2-ylidene)-iminoazanium?
The canonical SMILES for (1,3-dioxoinden-2-ylidene)-iminoazanium is N=[N+]=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of (1,3-dioxoinden-2-ylidene)-iminoazanium?
The InChIKey is UQBDQIAFGSCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4,10H/q+1.
What are the key properties of (1,3-dioxoinden-2-ylidene)-iminoazanium?
(1,3-dioxoinden-2-ylidene)-iminoazanium has a molecular weight of 173.15 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoinden-2-ylidene)-iminoazanium is sourced from PubChem (CID 6333107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).