ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide

C15H20N2O4 — CID 142615669

IUPACethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C.C=C1C(=O)N(C(C=O)CCC(=O)NC)C(=O)/C1=C/C
InChIInChI=1S/C13H16N2O4.C2H4/c1-4-10-8(2)12(18)15(13(10)19)9(7-16)5-6-11(17)14-3;1-2/h4,7,9H,2,5-6H2,1,3H3,(H,14,17);1-2H2/b10-4+;
InChIKeyBIADXDRRPXAHRR-FCVRUTMISA-N
MW292.34 g/mol
LogP0.75
Rot. Bonds5

About ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide

ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 142615669) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Nameethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID142615669
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C.C=C1C(=O)N(C(C=O)CCC(=O)NC)C(=O)/C1=C/C
InChIInChI=1S/C13H16N2O4.C2H4/c1-4-10-8(2)12(18)15(13(10)19)9(7-16)5-6-11(17)14-3;1-2/h4,7,9H,2,5-6H2,1,3H3,(H,14,17);1-2H2/b10-4+;
InChIKeyBIADXDRRPXAHRR-FCVRUTMISA-N
XLogP0.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide (CID 142615669) is ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide is C=C.C=C1C(=O)N(C(C=O)CCC(=O)NC)C(=O)/C1=C/C.
What is the InChIKey of ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is BIADXDRRPXAHRR-FCVRUTMISA-N. The full InChI is InChI=1S/C13H16N2O4.C2H4/c1-4-10-8(2)12(18)15(13(10)19)9(7-16)5-6-11(17)14-3;1-2/h4,7,9H,2,5-6H2,1,3H3,(H,14,17);1-2H2/b10-4+;.
What are the key properties of ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 292.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 142615669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).