[3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid

C9H11BN2O3 — CID 152765379

IUPAC[3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid
SMILESC=CC(=O)NNc1cccc(B(O)O)c1
InChIInChI=1S/C9H11BN2O3/c1-2-9(13)12-11-8-5-3-4-7(6-8)10(14)15/h2-6,11,14-15H,1H2,(H,12,13)
InChIKeyJEEWLYDVBXAXGK-UHFFFAOYSA-N
MW206.01 g/mol
LogP-1.00
Rot. Bonds4

About [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid

[3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid (PubChem CID 152765379) has the molecular formula C9H11BN2O3 and a molecular weight of 206.01 g/mol. Its IUPAC name is [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid
PubChem CID152765379
Molecular FormulaC9H11BN2O3
Molecular Weight206.01 g/mol
Exact Mass206.09
IUPAC Name[3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid
SMILESC=CC(=O)NNc1cccc(B(O)O)c1
InChIInChI=1S/C9H11BN2O3/c1-2-9(13)12-11-8-5-3-4-7(6-8)10(14)15/h2-6,11,14-15H,1H2,(H,12,13)
InChIKeyJEEWLYDVBXAXGK-UHFFFAOYSA-N
XLogP-1.00
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-phenylprop-2-enehydrazide
CID 21179187
[3-[11-[2-(prop-2-enoylamino)ethylsulfanyl]undecanoylamino]phenyl]boronic acid
CID 58660944
1-borono-3-(sulfinoamino)benzene
CID 22024768
[3-(methylsulfanylamino)phenyl]boronic acid
CID 143312158
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143
[3-[(3-methoxy-3-oxopropyl)amino]phenyl]boronic acid
CID 131875186
potassium;(3-ethenylphenyl)boronic acid;hydride
CID 175521054
(3-aminophenyl)boronic acid;(3-benzamidophenyl)boronic acid
CID 158171259
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
(3-carbonofluoridoylphenyl)boronic acid
CID 140808233
[3-chloro-4-[2-(prop-2-enoylamino)ethylcarbamoyl]phenyl]boronic acid
CID 169268662
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606

Frequently Asked Questions

What is the IUPAC name of [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid?
The IUPAC name of [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid (CID 152765379) is [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid.
What is the SMILES notation for [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid?
The canonical SMILES for [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid is C=CC(=O)NNc1cccc(B(O)O)c1.
What is the InChIKey of [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid?
The InChIKey is JEEWLYDVBXAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BN2O3/c1-2-9(13)12-11-8-5-3-4-7(6-8)10(14)15/h2-6,11,14-15H,1H2,(H,12,13).
What are the key properties of [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid?
[3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid has a molecular weight of 206.01 g/mol, XLogP of -1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-prop-2-enoylhydrazinyl)phenyl]boronic acid is sourced from PubChem (CID 152765379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).