[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid

C4H9BN2O2 — CID 163401081

IUPAC[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
SMILESC/N=C(/C=C\N)B(O)O
InChIInChI=1S/C4H9BN2O2/c1-7-4(2-3-6)5(8)9/h2-3,8-9H,6H2,1H3/b3-2-,7-4-
InChIKeyLEUKGUVETUNJKT-JXPISWCDSA-N
MW127.94 g/mol
LogP-1.46
Rot. Bonds2

About [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid

[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid (PubChem CID 163401081) has the molecular formula C4H9BN2O2 and a molecular weight of 127.94 g/mol. Its IUPAC name is [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid.

Molecular Properties

Compound Name[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
PubChem CID163401081
Molecular FormulaC4H9BN2O2
Molecular Weight127.94 g/mol
Exact Mass128.08
IUPAC Name[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
SMILESC/N=C(/C=C\N)B(O)O
InChIInChI=1S/C4H9BN2O2/c1-7-4(2-3-6)5(8)9/h2-3,8-9H,6H2,1H3/b3-2-,7-4-
InChIKeyLEUKGUVETUNJKT-JXPISWCDSA-N
XLogP-1.46
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.94
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane
CID 143705298
4-amino-2-methyliminobut-3-enal
CID 159791397
[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium
CID 177168103
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine
CID 178152509
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 146797377
2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol
CID 170714056
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide
CID 175627382
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129

Frequently Asked Questions

What is the IUPAC name of [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid?
The IUPAC name of [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid (CID 163401081) is [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid.
What is the SMILES notation for [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid?
The canonical SMILES for [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid is C/N=C(/C=C\N)B(O)O.
What is the InChIKey of [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid?
The InChIKey is LEUKGUVETUNJKT-JXPISWCDSA-N. The full InChI is InChI=1S/C4H9BN2O2/c1-7-4(2-3-6)5(8)9/h2-3,8-9H,6H2,1H3/b3-2-,7-4-.
What are the key properties of [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid?
[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid has a molecular weight of 127.94 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid is sourced from PubChem (CID 163401081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).