ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione

C13H20N2O2 — CID 172570194

IUPACethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
SMILESC=C/C=C(\C=N\C)C1CCC(=O)NC1=O.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-3-4-8(7-12-2)9-5-6-10(14)13-11(9)15;1-2/h3-4,7,9H,1,5-6H2,2H3,(H,13,14,15);1-2H3/b8-4+,12-7+;
InChIKeyMZHBJRCNLYPAIL-LSACGIPASA-N
MW236.31 g/mol
LogP1.88
Rot. Bonds3

About ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione

ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione (PubChem CID 172570194) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
PubChem CID172570194
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
SMILESC=C/C=C(\C=N\C)C1CCC(=O)NC1=O.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-3-4-8(7-12-2)9-5-6-10(14)13-11(9)15;1-2/h3-4,7,9H,1,5-6H2,2H3,(H,13,14,15);1-2H3/b8-4+,12-7+;
InChIKeyMZHBJRCNLYPAIL-LSACGIPASA-N
XLogP1.88
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
CID 177338978
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 172570074
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
3-[(1E)-1-(methylideneamino)buta-1,3-dienyl]sulfanylpiperidine-2,6-dione
CID 142623303
[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
CID 170003315
3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 156795515
3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
CID 155207749
buta-1,3-diene;3-(4,5-dimethylfuran-3-yl)piperidine-2,6-dione;ethane
CID 177240487

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione (CID 172570194) is ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione is C=C/C=C(\C=N\C)C1CCC(=O)NC1=O.CC.
What is the InChIKey of ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione?
The InChIKey is MZHBJRCNLYPAIL-LSACGIPASA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c1-3-4-8(7-12-2)9-5-6-10(14)13-11(9)15;1-2/h3-4,7,9H,1,5-6H2,2H3,(H,13,14,15);1-2H3/b8-4+,12-7+;.
What are the key properties of ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione?
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione has a molecular weight of 236.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 172570194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).