[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium

C4H10BN2O2+ — CID 177168103

IUPAC[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium
SMILESC/[NH+]=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/p+1/b3-2-,7-4-
InChIKeyLEUKGUVETUNJKT-JXPISWCDSA-O
MW128.95 g/mol
LogP-3.38
Rot. Bonds2

About [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium

[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium (PubChem CID 177168103) has the molecular formula C4H10BN2O2+ and a molecular weight of 128.95 g/mol. Its IUPAC name is [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium.

Molecular Properties

Compound Name[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium
PubChem CID177168103
Molecular FormulaC4H10BN2O2+
Molecular Weight128.95 g/mol
Exact Mass129.08
IUPAC Name[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium
SMILESC/[NH+]=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/p+1/b3-2-,7-4-
InChIKeyLEUKGUVETUNJKT-JXPISWCDSA-O
XLogP-3.38
TPSA80.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.95
LogP ≤ 5-3.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
CID 163401081
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
boric acid;tris(ethane-1,2-diamine)
CID 175320087
boric acid
CID 173080807
buta-1,3-diene-1,2,4-triamine
CID 163586800
(E)-3-aminoprop-2-enoic acid
CID 10148985
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium?
The IUPAC name of [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium (CID 177168103) is [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium.
What is the SMILES notation for [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium?
The canonical SMILES for [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium is C/[NH+]=C(/C=C\N)B(O)O.
What is the InChIKey of [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium?
The InChIKey is LEUKGUVETUNJKT-JXPISWCDSA-O. The full InChI is InChI=1S/C4H9BN2O2/c1-7-4(2-3-6)5(8)9/h2-3,8-9H,6H2,1H3/p+1/b3-2-,7-4-.
What are the key properties of [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium?
[(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium has a molecular weight of 128.95 g/mol, XLogP of -3.38, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-1-boronoprop-2-enylidene]-methylazanium is sourced from PubChem (CID 177168103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).