CID 100950236

C12H12K2N2O4 — CID 100950236

IUPAC—
SMILESC[C](NC(=O)C/N=C/c1ccccc1[O-])C(=O)O.[K+].[K]
InChIInChI=1S/C12H13N2O4.2K/c1-8(12(17)18)14-11(16)7-13-6-9-4-2-3-5-10(9)15;;/h2-6,15H,7H2,1H3,(H,14,16)(H,17,18);;/q;;+1/p-1/b13-6+;;
InChIKeyJQDZYTUTQVAXQF-JNXPPIHMSA-M
MW326.43 g/mol
LogP-3.45
Rot. Bonds5

About CID 100950236

CID 100950236 (PubChem CID 100950236) has the molecular formula C12H12K2N2O4 and a molecular weight of 326.43 g/mol.

Molecular Properties

Compound NameCID 100950236
PubChem CID100950236
Molecular FormulaC12H12K2N2O4
Molecular Weight326.43 g/mol
Exact Mass326.01
IUPAC Name—
SMILESC[C](NC(=O)C/N=C/c1ccccc1[O-])C(=O)O.[K+].[K]
InChIInChI=1S/C12H13N2O4.2K/c1-8(12(17)18)14-11(16)7-13-6-9-4-2-3-5-10(9)15;;/h2-6,15H,7H2,1H3,(H,14,16)(H,17,18);;/q;;+1/p-1/b13-6+;;
InChIKeyJQDZYTUTQVAXQF-JNXPPIHMSA-M
XLogP-3.45
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 5-3.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
2-(2-carboxypropan-2-yliminomethyl)phenolate
CID 132595752
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate
CID 139063984
sodium 2-(propyliminomethyl)phenolate
CID 102119842
trizinc;bis(2-[(E)-2-[(E)-(2-oxidophenyl)methylideneamino]oxyethoxyiminomethyl]phenolate);diacetate
CID 139130496
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
potassium;chloroplatinum(1+);(2S)-3-hydroxy-2-[(2-oxidophenyl)methylideneamino]propanoate
CID 57341342
2-[(5-bromo-2-oxidophenyl)methylideneamino]acetate;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tris(oxygen(2-));bis(vanadium)
CID 139127946
bis(2-hydroxybenzoate);manganese(2+);methanol;tetrakis(nickel(2+));tetrakis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
CID 139142090
potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate
CID 57341344
2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide
CID 19700399

Frequently Asked Questions

What is the IUPAC name of CID 100950236?
The IUPAC name of CID 100950236 (CID 100950236) is not available.
What is the SMILES notation for CID 100950236?
The canonical SMILES for CID 100950236 is C[C](NC(=O)C/N=C/c1ccccc1[O-])C(=O)O.[K+].[K].
What is the InChIKey of CID 100950236?
The InChIKey is JQDZYTUTQVAXQF-JNXPPIHMSA-M. The full InChI is InChI=1S/C12H13N2O4.2K/c1-8(12(17)18)14-11(16)7-13-6-9-4-2-3-5-10(9)15;;/h2-6,15H,7H2,1H3,(H,14,16)(H,17,18);;/q;;+1/p-1/b13-6+;;.
What are the key properties of CID 100950236?
CID 100950236 has a molecular weight of 326.43 g/mol, XLogP of -3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100950236 is sourced from PubChem (CID 100950236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).