ethane;1-ethyl-3-methylpiperidine-2,6-dione

C12H25NO2 — CID 177191793

IUPACethane;1-ethyl-3-methylpiperidine-2,6-dione
SMILESCC.CC.CCN1C(=O)CCC(C)C1=O
InChIInChI=1S/C8H13NO2.2C2H6/c1-3-9-7(10)5-4-6(2)8(9)11;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3
InChIKeyUPCGZLJNRGZROB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.84
Rot. Bonds1

About ethane;1-ethyl-3-methylpiperidine-2,6-dione

ethane;1-ethyl-3-methylpiperidine-2,6-dione (PubChem CID 177191793) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylpiperidine-2,6-dione
PubChem CID177191793
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;1-ethyl-3-methylpiperidine-2,6-dione
SMILESCC.CC.CCN1C(=O)CCC(C)C1=O
InChIInChI=1S/C8H13NO2.2C2H6/c1-3-9-7(10)5-4-6(2)8(9)11;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3
InChIKeyUPCGZLJNRGZROB-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58862212
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 143012237
3-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
CID 67792354
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
CID 139516814
(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1221385
1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 64656132
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
5-amino-1-ethyl-6-methylpiperidin-2-one
CID 83682095

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylpiperidine-2,6-dione?
The IUPAC name of ethane;1-ethyl-3-methylpiperidine-2,6-dione (CID 177191793) is ethane;1-ethyl-3-methylpiperidine-2,6-dione.
What is the SMILES notation for ethane;1-ethyl-3-methylpiperidine-2,6-dione?
The canonical SMILES for ethane;1-ethyl-3-methylpiperidine-2,6-dione is CC.CC.CCN1C(=O)CCC(C)C1=O.
What is the InChIKey of ethane;1-ethyl-3-methylpiperidine-2,6-dione?
The InChIKey is UPCGZLJNRGZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.2C2H6/c1-3-9-7(10)5-4-6(2)8(9)11;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-3-methylpiperidine-2,6-dione?
ethane;1-ethyl-3-methylpiperidine-2,6-dione has a molecular weight of 215.34 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 177191793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).