(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione

C10H13NO2 — CID 130413151

IUPAC(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione
SMILESC/C=C1/C(=O)N(C)C(=O)/C1=C/CC
InChIInChI=1S/C10H13NO2/c1-4-6-8-7(5-2)9(12)11(3)10(8)13/h5-6H,4H2,1-3H3/b7-5+,8-6+
InChIKeyRVEMDEWLDGHJGB-KQQUZDAGSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds1

About (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione

(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione (PubChem CID 130413151) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione
PubChem CID130413151
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione
SMILESC/C=C1/C(=O)N(C)C(=O)/C1=C/CC
InChIInChI=1S/C10H13NO2/c1-4-6-8-7(5-2)9(12)11(3)10(8)13/h5-6H,4H2,1-3H3/b7-5+,8-6+
InChIKeyRVEMDEWLDGHJGB-KQQUZDAGSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
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-methyl-4-propylidenepyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione (CID 130413151) is (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione is C/C=C1/C(=O)N(C)C(=O)/C1=C/CC.
What is the InChIKey of (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione?
The InChIKey is RVEMDEWLDGHJGB-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-6-8-7(5-2)9(12)11(3)10(8)13/h5-6H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione?
(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione has a molecular weight of 179.22 g/mol, XLogP of 1.27, 1 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-methyl-4-propylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 130413151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).