(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane

C16H22N2O3 — CID 163267583

IUPAC(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane
SMILESC=C1CC[C@@H](N2C(=O)C(=C/C)/C(=C\C)C2=O)C(=O)N1.CC
InChIInChI=1S/C14H16N2O3.C2H6/c1-4-9-10(5-2)14(19)16(13(9)18)11-7-6-8(3)15-12(11)17;1-2/h4-5,11H,3,6-7H2,1-2H3,(H,15,17);1-2H3/b9-4+,10-5+;/t11-;/m1./s1
InChIKeyPZXJVJDVHNMBJW-MHFZFCIWSA-N
MW290.36 g/mol
LogP2.07
Rot. Bonds1

About (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane

(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane (PubChem CID 163267583) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane
PubChem CID163267583
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane
SMILESC=C1CC[C@@H](N2C(=O)C(=C/C)/C(=C\C)C2=O)C(=O)N1.CC
InChIInChI=1S/C14H16N2O3.C2H6/c1-4-9-10(5-2)14(19)16(13(9)18)11-7-6-8(3)15-12(11)17;1-2/h4-5,11H,3,6-7H2,1-2H3,(H,15,17);1-2H3/b9-4+,10-5+;/t11-;/m1./s1
InChIKeyPZXJVJDVHNMBJW-MHFZFCIWSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 130441791
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione
CID 174121381
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanal
CID 145256106
(5Z)-5-(dimethylaminomethylidene)-4-ethenyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoquinoline-1,3-dione
CID 176967648
3-[(3E,4Z)-4-butan-2-ylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-6-methylidenepiperidin-2-one;methanol
CID 163268113
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane?
The IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane (CID 163267583) is (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane.
What is the SMILES notation for (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane?
The canonical SMILES for (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane is C=C1CC[C@@H](N2C(=O)C(=C/C)/C(=C\C)C2=O)C(=O)N1.CC.
What is the InChIKey of (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane?
The InChIKey is PZXJVJDVHNMBJW-MHFZFCIWSA-N. The full InChI is InChI=1S/C14H16N2O3.C2H6/c1-4-9-10(5-2)14(19)16(13(9)18)11-7-6-8(3)15-12(11)17;1-2/h4-5,11H,3,6-7H2,1-2H3,(H,15,17);1-2H3/b9-4+,10-5+;/t11-;/m1./s1.
What are the key properties of (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane?
(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane has a molecular weight of 290.36 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 163267583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).