(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione

C7H9NO2 — CID 71468111

IUPAC(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione
SMILESC/C=C1\C(=O)NC(=O)C1C
InChIInChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3-4H,1-2H3,(H,8,9,10)/b5-3-
InChIKeyJLAQEZKQOIVCTK-HYXAFXHYSA-N
MW139.15 g/mol
LogP0.23
Rot. Bonds

About (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione

(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione (PubChem CID 71468111) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione
PubChem CID71468111
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione
SMILESC/C=C1\C(=O)NC(=O)C1C
InChIInChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3-4H,1-2H3,(H,8,9,10)/b5-3-
InChIKeyJLAQEZKQOIVCTK-HYXAFXHYSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.23
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 (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione (CID 71468111) is (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione is C/C=C1\C(=O)NC(=O)C1C.
What is the InChIKey of (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
The InChIKey is JLAQEZKQOIVCTK-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3-4H,1-2H3,(H,8,9,10)/b5-3-.
What are the key properties of (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione has a molecular weight of 139.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 71468111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).