(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione

C9H9NO2 — CID 134255510

IUPAC(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)NC(=O)/C1=C/C
InChIInChI=1S/C9H9NO2/c1-3-5-7-6(4-2)8(11)10-9(7)12/h3-5H,1H2,2H3,(H,10,11,12)/b6-4+,7-5+
InChIKeyABMWBEHTFRYPOZ-YDFGWWAZSA-N
MW163.18 g/mol
LogP0.70
Rot. Bonds1

About (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione

(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione (PubChem CID 134255510) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
PubChem CID134255510
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)NC(=O)/C1=C/C
InChIInChI=1S/C9H9NO2/c1-3-5-7-6(4-2)8(11)10-9(7)12/h3-5H,1H2,2H3,(H,10,11,12)/b6-4+,7-5+
InChIKeyABMWBEHTFRYPOZ-YDFGWWAZSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione (CID 134255510) is (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione is C=C/C=C1/C(=O)NC(=O)/C1=C/C.
What is the InChIKey of (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The InChIKey is ABMWBEHTFRYPOZ-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-5-7-6(4-2)8(11)10-9(7)12/h3-5H,1H2,2H3,(H,10,11,12)/b6-4+,7-5+.
What are the key properties of (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione has a molecular weight of 163.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 134255510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).