[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid

C10H14BNO3 — CID 170600998

IUPAC[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid
SMILESCCc1ccc(=O)n(C/C=C/B(O)O)c1
InChIInChI=1S/C10H14BNO3/c1-2-9-4-5-10(13)12(8-9)7-3-6-11(14)15/h3-6,8,14-15H,2,7H2,1H3/b6-3+
InChIKeyNKFPAYJDRFZSSR-ZZXKWVIFSA-N
MW207.04 g/mol
LogP-0.02
Rot. Bonds4

About [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid

[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid (PubChem CID 170600998) has the molecular formula C10H14BNO3 and a molecular weight of 207.04 g/mol. Its IUPAC name is [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid
PubChem CID170600998
Molecular FormulaC10H14BNO3
Molecular Weight207.04 g/mol
Exact Mass207.11
IUPAC Name[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid
SMILESCCc1ccc(=O)n(C/C=C/B(O)O)c1
InChIInChI=1S/C10H14BNO3/c1-2-9-4-5-10(13)12(8-9)7-3-6-11(14)15/h3-6,8,14-15H,2,7H2,1H3/b6-3+
InChIKeyNKFPAYJDRFZSSR-ZZXKWVIFSA-N
XLogP-0.02
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one
CID 82505902
1-[(E)-but-2-enyl]-6-oxopyridine-3-carboxylic acid
CID 28545450
1-ethyl-5-prop-2-enylpyridin-2-one
CID 165139005
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
alumane;1,4-diethylbenzene
CID 174296012
[(E)-3-[2-oxo-5-[4-[[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]carbamoylamino]-2,3-dihydro-1H-inden-5-yl]-1-pyridinyl]prop-1-enyl]boronic acid
CID 170600905
5-chloro-1-[(E)-3-phenylprop-2-enyl]pyridin-2-one
CID 901048
1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
CID 67920631
1-[2-(4-ethylanilino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505343
1,4-diethylbenzene;oxoalumane
CID 174317758
N-(4-carbamoylphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383049
5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde
CID 13169255

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid?
The IUPAC name of [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid (CID 170600998) is [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid.
What is the SMILES notation for [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid?
The canonical SMILES for [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid is CCc1ccc(=O)n(C/C=C/B(O)O)c1.
What is the InChIKey of [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid?
The InChIKey is NKFPAYJDRFZSSR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H14BNO3/c1-2-9-4-5-10(13)12(8-9)7-3-6-11(14)15/h3-6,8,14-15H,2,7H2,1H3/b6-3+.
What are the key properties of [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid?
[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid has a molecular weight of 207.04 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid is sourced from PubChem (CID 170600998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).