methyl-N-(methylideneamino)boronamidic acid

C2H7BN2O — CID 59132303

IUPACmethyl-N-(methylideneamino)boronamidic acid
SMILESC=NNB(C)O
InChIInChI=1S/C2H7BN2O/c1-3(6)5-4-2/h5-6H,2H2,1H3
InChIKeyZCFDQQCKYABLLN-UHFFFAOYSA-N
MW85.90 g/mol
LogP-0.70
Rot. Bonds2

About methyl-N-(methylideneamino)boronamidic acid

methyl-N-(methylideneamino)boronamidic acid (PubChem CID 59132303) has the molecular formula C2H7BN2O and a molecular weight of 85.90 g/mol. Its IUPAC name is methyl-N-(methylideneamino)boronamidic acid.

Molecular Properties

Compound Namemethyl-N-(methylideneamino)boronamidic acid
PubChem CID59132303
Molecular FormulaC2H7BN2O
Molecular Weight85.90 g/mol
Exact Mass86.07
IUPAC Namemethyl-N-(methylideneamino)boronamidic acid
SMILESC=NNB(C)O
InChIInChI=1S/C2H7BN2O/c1-3(6)5-4-2/h5-6H,2H2,1H3
InChIKeyZCFDQQCKYABLLN-UHFFFAOYSA-N
XLogP-0.70
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.90
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-N-(methylideneamino)boronamidic acid?
The IUPAC name of methyl-N-(methylideneamino)boronamidic acid (CID 59132303) is methyl-N-(methylideneamino)boronamidic acid.
What is the SMILES notation for methyl-N-(methylideneamino)boronamidic acid?
The canonical SMILES for methyl-N-(methylideneamino)boronamidic acid is C=NNB(C)O.
What is the InChIKey of methyl-N-(methylideneamino)boronamidic acid?
The InChIKey is ZCFDQQCKYABLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7BN2O/c1-3(6)5-4-2/h5-6H,2H2,1H3.
What are the key properties of methyl-N-(methylideneamino)boronamidic acid?
methyl-N-(methylideneamino)boronamidic acid has a molecular weight of 85.90 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-N-(methylideneamino)boronamidic acid is sourced from PubChem (CID 59132303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).