4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione

C15H18N2O3 — CID 156794766

IUPAC4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
SMILESCCc1cccc2c1CNC2=O.O=C1CCCC(=O)N1
InChIInChI=1S/C10H11NO.C5H7NO2/c1-2-7-4-3-5-8-9(7)6-11-10(8)12;7-4-2-1-3-5(8)6-4/h3-5H,2,6H2,1H3,(H,11,12);1-3H2,(H,6,7,8)
InChIKeySTSGPEFMSAVYGK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.31
Rot. Bonds1

About 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione

4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione (PubChem CID 156794766) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione.

Molecular Properties

Compound Name4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
PubChem CID156794766
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
SMILESCCc1cccc2c1CNC2=O.O=C1CCCC(=O)N1
InChIInChI=1S/C10H11NO.C5H7NO2/c1-2-7-4-3-5-8-9(7)6-11-10(8)12;7-4-2-1-3-5(8)6-4/h3-5H,2,6H2,1H3,(H,11,12);1-3H2,(H,6,7,8)
InChIKeySTSGPEFMSAVYGK-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one
CID 156794502
ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
CID 163393658
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl methanesulfonate
CID 87871732
4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
CID 172876033
4-butan-2-yl-2,3-dihydroisoindol-1-one;molecular hydrogen
CID 166478199
ethane;6-methyl-2-[(1-oxo-2,3-dihydroisoindol-4-yl)methyl]-3H-isoindol-1-one
CID 177192658
4-(4-ethylpiperazin-1-yl)-2,3-dihydroisoindol-1-one
CID 67372491
4-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717756
1-[2-ethyl-4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-(3-methylphenyl)urea
CID 5329907
piperidine-2,6-dione;4-propan-2-ylisoindole-1,3-dione
CID 155707467
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
The IUPAC name of 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione (CID 156794766) is 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione.
What is the SMILES notation for 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
The canonical SMILES for 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione is CCc1cccc2c1CNC2=O.O=C1CCCC(=O)N1.
What is the InChIKey of 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
The InChIKey is STSGPEFMSAVYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C5H7NO2/c1-2-7-4-3-5-8-9(7)6-11-10(8)12;7-4-2-1-3-5(8)6-4/h3-5H,2,6H2,1H3,(H,11,12);1-3H2,(H,6,7,8).
What are the key properties of 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione is sourced from PubChem (CID 156794766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).