(3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione

C12H15NO2 — CID 146179522

IUPAC(3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)N(C(C)C)C(=O)/C1=C/C
InChIInChI=1S/C12H15NO2/c1-5-7-10-9(6-2)11(14)13(8(3)4)12(10)15/h5-8H,1H2,2-4H3/b9-6+,10-7+
InChIKeyJMFHDOOKAXXALT-KZZDLZNXSA-N
MW205.26 g/mol
LogP1.82
Rot. Bonds2

About (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione

(3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione (PubChem CID 146179522) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione
PubChem CID146179522
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)N(C(C)C)C(=O)/C1=C/C
InChIInChI=1S/C12H15NO2/c1-5-7-10-9(6-2)11(14)13(8(3)4)12(10)15/h5-8H,1H2,2-4H3/b9-6+,10-7+
InChIKeyJMFHDOOKAXXALT-KZZDLZNXSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.82
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-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione (CID 146179522) is (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione is C=C/C=C1/C(=O)N(C(C)C)C(=O)/C1=C/C.
What is the InChIKey of (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione?
The InChIKey is JMFHDOOKAXXALT-KZZDLZNXSA-N. The full InChI is InChI=1S/C12H15NO2/c1-5-7-10-9(6-2)11(14)13(8(3)4)12(10)15/h5-8H,1H2,2-4H3/b9-6+,10-7+.
What are the key properties of (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione?
(3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 146179522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).