potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide

C20H12KN2O3- — CID 20775252

IUPACpotassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
SMILES[K+].[NH-]c1ccc2c(c1)Oc1cc([NH-])ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C20H12N2O3.K/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;/h1-10,21-22H;/q-2;+1
InChIKeyLNJQKEIKKXCDDA-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.63
Rot. Bonds

About potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide

potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide (PubChem CID 20775252) has the molecular formula C20H12KN2O3- and a molecular weight of 367.43 g/mol. Its IUPAC name is potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide.

Molecular Properties

Compound Namepotassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
PubChem CID20775252
Molecular FormulaC20H12KN2O3-
Molecular Weight367.43 g/mol
Exact Mass367.05
IUPAC Namepotassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
SMILES[K+].[NH-]c1ccc2c(c1)Oc1cc([NH-])ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C20H12N2O3.K/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;/h1-10,21-22H;/q-2;+1
InChIKeyLNJQKEIKKXCDDA-UHFFFAOYSA-N
XLogP2.63
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3',6'-bis(triazirin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2840289
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19829084
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;diphenylmethanone
CID 68707787
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;2-phenylethylbenzene
CID 68989148
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354

Frequently Asked Questions

What is the IUPAC name of potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide?
The IUPAC name of potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide (CID 20775252) is potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide.
What is the SMILES notation for potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide?
The canonical SMILES for potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide is [K+].[NH-]c1ccc2c(c1)Oc1cc([NH-])ccc1C21OC(=O)c2ccccc21.
What is the InChIKey of potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide?
The InChIKey is LNJQKEIKKXCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3.K/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;/h1-10,21-22H;/q-2;+1.
What are the key properties of potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide?
potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide has a molecular weight of 367.43 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide is sourced from PubChem (CID 20775252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).