[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid

C10H12BNO2 — CID 143770565

IUPAC[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid
SMILESC=N/C=C\c1c(C)cccc1B(O)O
InChIInChI=1S/C10H12BNO2/c1-8-4-3-5-10(11(13)14)9(8)6-7-12-2/h3-7,13-14H,2H2,1H3/b7-6-
InChIKeyMTLNETLRSBFKQF-SREVYHEPSA-N
MW189.02 g/mol
LogP0.35
Rot. Bonds3

About [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid

[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid (PubChem CID 143770565) has the molecular formula C10H12BNO2 and a molecular weight of 189.02 g/mol. Its IUPAC name is [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid
PubChem CID143770565
Molecular FormulaC10H12BNO2
Molecular Weight189.02 g/mol
Exact Mass189.10
IUPAC Name[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid
SMILESC=N/C=C\c1c(C)cccc1B(O)O
InChIInChI=1S/C10H12BNO2/c1-8-4-3-5-10(11(13)14)9(8)6-7-12-2/h3-7,13-14H,2H2,1H3/b7-6-
InChIKeyMTLNETLRSBFKQF-SREVYHEPSA-N
XLogP0.35
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 50.35
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'}

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Related Compounds

N-[(Z)-2-(2-methylphenyl)ethenyl]methanimine
CID 129049120
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707
methoxymethane;(2-methylphenyl)boronic acid
CID 153370115
[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol
CID 143569641
2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
CID 102315083
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
2,6-dimethylbenzaldehyde
CID 159545887
(2-formyl-3-trimethylsilylphenyl)boronic acid
CID 102512881
[2-(methoxymethoxy)-3-methylphenyl]boronic acid
CID 44517875
1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine
CID 90822812
(3-bromo-2-methylphenyl)boronic acid
CID 54157843

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid?
The IUPAC name of [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid (CID 143770565) is [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid.
What is the SMILES notation for [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid?
The canonical SMILES for [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid is C=N/C=C\c1c(C)cccc1B(O)O.
What is the InChIKey of [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid?
The InChIKey is MTLNETLRSBFKQF-SREVYHEPSA-N. The full InChI is InChI=1S/C10H12BNO2/c1-8-4-3-5-10(11(13)14)9(8)6-7-12-2/h3-7,13-14H,2H2,1H3/b7-6-.
What are the key properties of [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid?
[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid has a molecular weight of 189.02 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid is sourced from PubChem (CID 143770565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).