(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione

C14H17NO2 — CID 138574886

IUPAC(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione
SMILESC/C=C\C(=C/C)N1C(=O)C(=C/C)/C(=C\C)C1=O
InChIInChI=1S/C14H17NO2/c1-5-9-10(6-2)15-13(16)11(7-3)12(8-4)14(15)17/h5-9H,1-4H3/b9-5-,10-6+,11-7+,12-8+
InChIKeyJPGMOVAMHKYFLF-GFJZJREDSA-N
MW231.29 g/mol
LogP2.73
Rot. Bonds2

About (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione

(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione (PubChem CID 138574886) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione
PubChem CID138574886
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione
SMILESC/C=C\C(=C/C)N1C(=O)C(=C/C)/C(=C\C)C1=O
InChIInChI=1S/C14H17NO2/c1-5-9-10(6-2)15-13(16)11(7-3)12(8-4)14(15)17/h5-9H,1-4H3/b9-5-,10-6+,11-7+,12-8+
InChIKeyJPGMOVAMHKYFLF-GFJZJREDSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione
CID 18406754
(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one
CID 88944632
(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione
CID 89186760
1-[4-(2-Methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
CID 89284656
1-(6-Methylcyclohepta-1,3,5-trien-1-yl)pyrrole-2,5-dione
CID 90178789
1-Propan-2-yl-3-prop-2-enylidenepyrrolidine-2,5-dione
CID 90778688
3-Hex-2-enylidene-1-methylpyrrolidine-2,5-dione
CID 123770449
(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 129237472
(3E,4E)-3-ethylidene-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 129267272
(3E,4E)-3,4-di(ethylidene)-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrrolidine-2,5-dione
CID 129267324
(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 134255510
(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione
CID 134559591

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione (CID 138574886) is (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione is C/C=C\C(=C/C)N1C(=O)C(=C/C)/C(=C\C)C1=O.
What is the InChIKey of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione?
The InChIKey is JPGMOVAMHKYFLF-GFJZJREDSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-9-10(6-2)15-13(16)11(7-3)12(8-4)14(15)17/h5-9H,1-4H3/b9-5-,10-6+,11-7+,12-8+.
What are the key properties of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione?
(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione has a molecular weight of 231.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 138574886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).