3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione

C17H18N2O2 — CID 144735375

IUPAC3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
SMILESC=c1c2cccc(CC)c2c(=C)n1C1CCC(=O)NC1=O
InChIInChI=1S/C17H18N2O2/c1-4-12-6-5-7-13-10(2)19(11(3)16(12)13)14-8-9-15(20)18-17(14)21/h5-7,14H,2-4,8-9H2,1H3,(H,18,20,21)
InChIKeySBEVRXYABBBHBQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.00
Rot. Bonds2

About 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione

3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione (PubChem CID 144735375) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
PubChem CID144735375
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
SMILESC=c1c2cccc(CC)c2c(=C)n1C1CCC(=O)NC1=O
InChIInChI=1S/C17H18N2O2/c1-4-12-6-5-7-13-10(2)19(11(3)16(12)13)14-8-9-15(20)18-17(14)21/h5-7,14H,2-4,8-9H2,1H3,(H,18,20,21)
InChIKeySBEVRXYABBBHBQ-UHFFFAOYSA-N
XLogP1.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 156860734
3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 123615566
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione
CID 81335588
3-[3-methyl-4-[[4-(methylamino)piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138696058

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione (CID 144735375) is 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione is C=c1c2cccc(CC)c2c(=C)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is SBEVRXYABBBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-4-12-6-5-7-13-10(2)19(11(3)16(12)13)14-8-9-15(20)18-17(14)21/h5-7,14H,2-4,8-9H2,1H3,(H,18,20,21).
What are the key properties of 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione?
3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 282.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 144735375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).