2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione

C18H16N2O3 — CID 5327543

IUPAC2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione
SMILESCCc1cc(/C=C/N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
InChIInChI=1S/C18H16N2O3/c1-3-12-10-13(16(21)19-11(12)2)8-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)/b9-8+
InChIKeyJLIVEERJJOGSIC-CMDGGOBGSA-N
MW308.34 g/mol
LogP2.51
Rot. Bonds3

About 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione

2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione (PubChem CID 5327543) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione
PubChem CID5327543
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione
SMILESCCc1cc(/C=C/N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
InChIInChI=1S/C18H16N2O3/c1-3-12-10-13(16(21)19-11(12)2)8-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)/b9-8+
InChIKeyJLIVEERJJOGSIC-CMDGGOBGSA-N
XLogP2.51
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione with MolForge

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Related Compounds

Thalidomide
CID 5426
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
(R)-Thalidomide
CID 75792
N,N,N',N'-Tetraethylphthalamide
CID 66526

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione (CID 5327543) is 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione is CCc1cc(/C=C/N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C.
What is the InChIKey of 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione?
The InChIKey is JLIVEERJJOGSIC-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-12-10-13(16(21)19-11(12)2)8-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)/b9-8+.
What are the key properties of 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione?
2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione has a molecular weight of 308.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)ethenyl]isoindole-1,3-dione is sourced from PubChem (CID 5327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).