(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide

C17H14N2O3 — CID 122514492

IUPAC(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1Cc2ccccc2C1=O)NO
InChIInChI=1S/C17H14N2O3/c20-16(18-22)10-9-12-5-2-4-8-15(12)19-11-13-6-1-3-7-14(13)17(19)21/h1-10,22H,11H2,(H,18,20)/b10-9+
InChIKeyYJPAMOJMMFXSKC-MDZDMXLPSA-N
MW294.31 g/mol
LogP2.37
Rot. Bonds3

About (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide (PubChem CID 122514492) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide
PubChem CID122514492
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1Cc2ccccc2C1=O)NO
InChIInChI=1S/C17H14N2O3/c20-16(18-22)10-9-12-5-2-4-8-15(12)19-11-13-6-1-3-7-14(13)17(19)21/h1-10,22H,11H2,(H,18,20)/b10-9+
InChIKeyYJPAMOJMMFXSKC-MDZDMXLPSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one
CID 69001737
(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
CID 122514325
ethyl (E)-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enoate
CID 67044953
2-(2,3-dichlorophenyl)-3H-isoindol-1-one
CID 842632
(E)-N-hydroxy-3-[2-[2-oxo-4-[4-(trifluoromethoxy)phenyl]sulfinylpiperazin-1-yl]phenyl]prop-2-enamide
CID 166920874
N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678034
(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 139382216
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,6-diazaspiro[4.5]decane-6-carboxylic acid
CID 122513967
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 122513986

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide (CID 122514492) is (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1N1Cc2ccccc2C1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide?
The InChIKey is YJPAMOJMMFXSKC-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(18-22)10-9-12-5-2-4-8-15(12)19-11-13-6-1-3-7-14(13)17(19)21/h1-10,22H,11H2,(H,18,20)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide has a molecular weight of 294.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 122514492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).