2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid

C10H10N4O6S — CID 54609874

IUPAC2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid
SMILESNC(N)=NN=c1c(=O)c2ccccc2c1=O.O=S(=O)(O)O
InChIInChI=1S/C10H8N4O2.H2O4S/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16;1-5(2,3)4/h1-4H,(H4,11,12,14);(H2,1,2,3,4)
InChIKeySOBDEZABSRLUET-UHFFFAOYSA-N
MW314.28 g/mol
LogP-2.13
Rot. Bonds1

About 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid

2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid (PubChem CID 54609874) has the molecular formula C10H10N4O6S and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid
PubChem CID54609874
Molecular FormulaC10H10N4O6S
Molecular Weight314.28 g/mol
Exact Mass314.03
IUPAC Name2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid
SMILESNC(N)=NN=c1c(=O)c2ccccc2c1=O.O=S(=O)(O)O
InChIInChI=1S/C10H8N4O2.H2O4S/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16;1-5(2,3)4/h1-4H,(H4,11,12,14);(H2,1,2,3,4)
InChIKeySOBDEZABSRLUET-UHFFFAOYSA-N
XLogP-2.13
TPSA185.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(Hydroxyimino)-1H-indene-1,3(2H)-dione
CID 316190
2-Diazoindane-1,3-dione
CID 4174836
(1,3-Dioxoinden-2-ylidene)thiourea
CID 2831834
2-Ethanehydrazonoylindene-1,3-dione
CID 9555221
2-Iminoindene-1,3-dione
CID 142147631
2-Ethanehydrazonoylindene-1,3-dione
CID 321181
2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine
CID 5243951
2-Ethanehydrazonoylindene-1,3-dione
CID 5958917
1-(1,3-Dioxo-2,3-dihydro-1H-inden-2-ylidene)diazenium
CID 6333107
2-(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)-1-methylhydrazine-1-carboximidamide
CID 6610714
2-Ethanimidoylindene-1,3-dione
CID 12260930
2-Hydrazinylideneindene-1,3-dione
CID 15776055

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid?
The IUPAC name of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid (CID 54609874) is 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid.
What is the SMILES notation for 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid?
The canonical SMILES for 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid is NC(N)=NN=c1c(=O)c2ccccc2c1=O.O=S(=O)(O)O.
What is the InChIKey of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid?
The InChIKey is SOBDEZABSRLUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2.H2O4S/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16;1-5(2,3)4/h1-4H,(H4,11,12,14);(H2,1,2,3,4).
What are the key properties of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid?
2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid has a molecular weight of 314.28 g/mol, XLogP of -2.13, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine;sulfuric acid is sourced from PubChem (CID 54609874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).