ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione

C16H20N2O4 — CID 143028100

IUPACethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione
SMILESC/C=C1/C(=O)N(C)C(=O)/C1=C/C1=C(C)C(=O)N(C)C1=O.CC
InChIInChI=1S/C14H14N2O4.C2H6/c1-5-8-10(14(20)16(4)12(8)18)6-9-7(2)11(17)15(3)13(9)19;1-2/h5-6H,1-4H3;1-2H3/b8-5+,10-6+;
InChIKeyFXFAINCGPRVHTF-JTVRJRSNSA-N
MW304.35 g/mol
LogP1.20
Rot. Bonds1

About ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione

ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione (PubChem CID 143028100) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione
PubChem CID143028100
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione
SMILESC/C=C1/C(=O)N(C)C(=O)/C1=C/C1=C(C)C(=O)N(C)C1=O.CC
InChIInChI=1S/C14H14N2O4.C2H6/c1-5-8-10(14(20)16(4)12(8)18)6-9-7(2)11(17)15(3)13(9)19;1-2/h5-6H,1-4H3;1-2H3/b8-5+,10-6+;
InChIKeyFXFAINCGPRVHTF-JTVRJRSNSA-N
XLogP1.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione?
The IUPAC name of ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione (CID 143028100) is ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione is C/C=C1/C(=O)N(C)C(=O)/C1=C/C1=C(C)C(=O)N(C)C1=O.CC.
What is the InChIKey of ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione?
The InChIKey is FXFAINCGPRVHTF-JTVRJRSNSA-N. The full InChI is InChI=1S/C14H14N2O4.C2H6/c1-5-8-10(14(20)16(4)12(8)18)6-9-7(2)11(17)15(3)13(9)19;1-2/h5-6H,1-4H3;1-2H3/b8-5+,10-6+;.
What are the key properties of ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione?
ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(E)-[(4E)-4-ethylidene-1-methyl-2,5-dioxopyrrolidin-3-ylidene]methyl]-1,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 143028100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).