(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione

C11H15NO2 — CID 134260202

IUPAC(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESC/C=C1/C(=O)N(C(C)C)C(=O)/C1=C/C
InChIInChI=1S/C11H15NO2/c1-5-8-9(6-2)11(14)12(7(3)4)10(8)13/h5-7H,1-4H3/b8-5+,9-6+
InChIKeyXDCDPVUIHFGNGO-XVYDYJIPSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds1

About (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione

(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 134260202) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID134260202
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESC/C=C1/C(=O)N(C(C)C)C(=O)/C1=C/C
InChIInChI=1S/C11H15NO2/c1-5-8-9(6-2)11(14)12(7(3)4)10(8)13/h5-7H,1-4H3/b8-5+,9-6+
InChIKeyXDCDPVUIHFGNGO-XVYDYJIPSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione (CID 134260202) is (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione is C/C=C1/C(=O)N(C(C)C)C(=O)/C1=C/C.
What is the InChIKey of (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XDCDPVUIHFGNGO-XVYDYJIPSA-N. The full InChI is InChI=1S/C11H15NO2/c1-5-8-9(6-2)11(14)12(7(3)4)10(8)13/h5-7H,1-4H3/b8-5+,9-6+.
What are the key properties of (3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione?
(3E,4E)-3,4-di(ethylidene)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.66, 1 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-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 134260202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).