bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate

C12H18InN3O9 — CID 140789850

IUPACbis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate
SMILESCON=C(C)C(=O)O[In](OC(=O)C(C)=NOC)OC(=O)C(C)=NOC
InChIInChI=1S/3C4H7NO3.In/c3*1-3(4(6)7)5-8-2;/h3*1-2H3,(H,6,7);/q;;;+3/p-3
InChIKeyFYRYVGMEFVLHRU-UHFFFAOYSA-K
MW463.11 g/mol
LogP-0.33
Rot. Bonds9

About bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate

bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate (PubChem CID 140789850) has the molecular formula C12H18InN3O9 and a molecular weight of 463.11 g/mol. Its IUPAC name is bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate.

Molecular Properties

Compound Namebis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate
PubChem CID140789850
Molecular FormulaC12H18InN3O9
Molecular Weight463.11 g/mol
Exact Mass463.01
IUPAC Namebis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate
SMILESCON=C(C)C(=O)O[In](OC(=O)C(C)=NOC)OC(=O)C(C)=NOC
InChIInChI=1S/3C4H7NO3.In/c3*1-3(4(6)7)5-8-2;/h3*1-2H3,(H,6,7);/q;;;+3/p-3
InChIKeyFYRYVGMEFVLHRU-UHFFFAOYSA-K
XLogP-0.33
TPSA143.67 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyiminopropanoic acid;zinc
CID 174796491
(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
CID 172959290
2,3-bis(methoxyimino)butanoic acid
CID 54102019
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
[4-(2-bromoethyl)phenyl] 2-methoxyiminopropanoate
CID 173306210
methyl 2-[[2-[[3,4-bis(methoxyimino)pentan-2-ylideneamino]oxymethyl]phenyl]methoxyimino]propanoate
CID 139816164
methyl 3-methoxyiminobutanoate
CID 72729968
tert-butyl 2-methoxyimino-3-oxobutanoate
CID 54110352
tert-butyl (2Z)-2-methoxyimino-3-oxobutanoate
CID 6420338
ethyl 2-[bis(sulfanyl)methyl]-5-methoxyimino-4-oxohex-2-enoate
CID 173426005
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
hydroxy-[(2E)-2-methoxyiminopropyl]-oxophosphanium
CID 88729902

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate?
The IUPAC name of bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate (CID 140789850) is bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate.
What is the SMILES notation for bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate?
The canonical SMILES for bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate is CON=C(C)C(=O)O[In](OC(=O)C(C)=NOC)OC(=O)C(C)=NOC.
What is the InChIKey of bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate?
The InChIKey is FYRYVGMEFVLHRU-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H7NO3.In/c3*1-3(4(6)7)5-8-2;/h3*1-2H3,(H,6,7);/q;;;+3/p-3.
What are the key properties of bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate?
bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate has a molecular weight of 463.11 g/mol, XLogP of -0.33, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate is sourced from PubChem (CID 140789850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).