ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C16H18N2O4 — CID 163267686

IUPACethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC.CC1(N2C(=O)c3ccccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H12N2O4.C2H6/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19;1-2/h2-5H,6-7H2,1H3,(H,15,17,20);1-2H3
InChIKeyOSVZXEPVVVYULW-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.50
Rot. Bonds1

About ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 163267686) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID163267686
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC.CC1(N2C(=O)c3ccccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H12N2O4.C2H6/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19;1-2/h2-5H,6-7H2,1H3,(H,15,17,20);1-2H3
InChIKeyOSVZXEPVVVYULW-UHFFFAOYSA-N
XLogP1.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
methanamine;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 91016325
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
CID 86607663
3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
CID 59765254
5-(3-methyl-2,6-dioxopiperidin-3-yl)-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
CID 59765280
5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
CID 59765318

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 163267686) is ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC.CC1(N2C(=O)c3ccccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OSVZXEPVVVYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4.C2H6/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19;1-2/h2-5H,6-7H2,1H3,(H,15,17,20);1-2H3.
What are the key properties of ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 302.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 163267686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).