ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C16H20N2O3 — CID 163268043

IUPACethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC.CC1(N2Cc3ccccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H14N2O3.C2H6/c1-14(7-6-11(17)15-13(14)19)16-8-9-4-2-3-5-10(9)12(16)18;1-2/h2-5H,6-8H2,1H3,(H,15,17,19);1-2H3
InChIKeyFCGHETLXQKCCIJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds1

About ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 163268043) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID163268043
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC.CC1(N2Cc3ccccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H14N2O3.C2H6/c1-14(7-6-11(17)15-13(14)19)16-8-9-4-2-3-5-10(9)12(16)18;1-2/h2-5H,6-8H2,1H3,(H,15,17,19);1-2H3
InChIKeyFCGHETLXQKCCIJ-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
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

methanamine;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 91016325
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 166507159
(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075862
3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919881
(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
CID 66751776
ethane;methane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phosphane;3-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-methyl-3-[3-oxo-6-(1-phosphanylpiperidin-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 161311832
1-[[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-(4-pyridin-4-ylphenyl)urea
CID 91303118
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
1-(3-oxo-1H-isoindol-2-yl)cyclopropane-1-carboxylic acid
CID 166000582
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-oxo-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1H-isoindole-5-carboxamide
CID 67023255
3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 123881098

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 163268043) is ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CC.CC1(N2Cc3ccccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is FCGHETLXQKCCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C2H6/c1-14(7-6-11(17)15-13(14)19)16-8-9-4-2-3-5-10(9)12(16)18;1-2/h2-5H,6-8H2,1H3,(H,15,17,19);1-2H3.
What are the key properties of ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 163268043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).