[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid

C6H10BNO2 — CID 146760706

IUPAC[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid
SMILESC=N/C=C\C=C(/C)B(O)O
InChIInChI=1S/C6H10BNO2/c1-6(7(9)10)4-3-5-8-2/h3-5,9-10H,2H2,1H3/b5-3-,6-4+
InChIKeyRPJJJUKHVYYOSE-CIIODKQPSA-N
MW138.96 g/mol
LogP0.16
Rot. Bonds3

About [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid

[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid (PubChem CID 146760706) has the molecular formula C6H10BNO2 and a molecular weight of 138.96 g/mol. Its IUPAC name is [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid.

Molecular Properties

Compound Name[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid
PubChem CID146760706
Molecular FormulaC6H10BNO2
Molecular Weight138.96 g/mol
Exact Mass139.08
IUPAC Name[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid
SMILESC=N/C=C\C=C(/C)B(O)O
InChIInChI=1S/C6H10BNO2/c1-6(7(9)10)4-3-5-8-2/h3-5,9-10H,2H2,1H3/b5-3-,6-4+
InChIKeyRPJJJUKHVYYOSE-CIIODKQPSA-N
XLogP0.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.96
LogP ≤ 50.16
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid?
The IUPAC name of [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid (CID 146760706) is [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid.
What is the SMILES notation for [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid?
The canonical SMILES for [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid is C=N/C=C\C=C(/C)B(O)O.
What is the InChIKey of [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid?
The InChIKey is RPJJJUKHVYYOSE-CIIODKQPSA-N. The full InChI is InChI=1S/C6H10BNO2/c1-6(7(9)10)4-3-5-8-2/h3-5,9-10H,2H2,1H3/b5-3-,6-4+.
What are the key properties of [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid?
[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid has a molecular weight of 138.96 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid is sourced from PubChem (CID 146760706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).