ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione

C16H25N3O2 — CID 177343937

IUPACethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
SMILESC=C/C=C1C(=C/C)\NCCN\1C1CCC(=O)NC1=O.CC
InChIInChI=1S/C14H19N3O2.C2H6/c1-3-5-11-10(4-2)15-8-9-17(11)12-6-7-13(18)16-14(12)19;1-2/h3-5,12,15H,1,6-9H2,2H3,(H,16,18,19);1-2H3/b10-4+,11-5+;
InChIKeyNMWRMCWVKATCAO-DVHWKNMOSA-N
MW291.40 g/mol
LogP1.70
Rot. Bonds2

About ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione

ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione (PubChem CID 177343937) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
PubChem CID177343937
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
SMILESC=C/C=C1C(=C/C)\NCCN\1C1CCC(=O)NC1=O.CC
InChIInChI=1S/C14H19N3O2.C2H6/c1-3-5-11-10(4-2)15-8-9-17(11)12-6-7-13(18)16-14(12)19;1-2/h3-5,12,15H,1,6-9H2,2H3,(H,16,18,19);1-2H3/b10-4+,11-5+;
InChIKeyNMWRMCWVKATCAO-DVHWKNMOSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 166996744
3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177338862
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
[(2E)-2-[(4E)-1-(2,6-dioxopiperidin-3-yl)-4-ethylidene-2-oxopyrrolidin-3-ylidene]ethylidene]tungsten
CID 171627444
(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 130441791
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
acetaldehyde;2,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine-1,5-dione
CID 123929692
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione (CID 177343937) is ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione is C=C/C=C1C(=C/C)\NCCN\1C1CCC(=O)NC1=O.CC.
What is the InChIKey of ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione?
The InChIKey is NMWRMCWVKATCAO-DVHWKNMOSA-N. The full InChI is InChI=1S/C14H19N3O2.C2H6/c1-3-5-11-10(4-2)15-8-9-17(11)12-6-7-13(18)16-14(12)19;1-2/h3-5,12,15H,1,6-9H2,2H3,(H,16,18,19);1-2H3/b10-4+,11-5+;.
What are the key properties of ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione?
ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione has a molecular weight of 291.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177343937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).