methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate

C10H13NO4 — CID 15632606

IUPACmethyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate
SMILESCOC(=O)/C=C/CCN1C(=O)CCC1=O
InChIInChI=1S/C10H13NO4/c1-15-10(14)4-2-3-7-11-8(12)5-6-9(11)13/h2,4H,3,5-7H2,1H3/b4-2+
InChIKeyNVNIBAORAVWXIU-DUXPYHPUSA-N
MW211.22 g/mol
LogP0.25
Rot. Bonds4

About methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate

methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate (PubChem CID 15632606) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate
PubChem CID15632606
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate
SMILESCOC(=O)/C=C/CCN1C(=O)CCC1=O
InChIInChI=1S/C10H13NO4/c1-15-10(14)4-2-3-7-11-8(12)5-6-9(11)13/h2,4H,3,5-7H2,1H3/b4-2+
InChIKeyNVNIBAORAVWXIU-DUXPYHPUSA-N
XLogP0.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.25
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 methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate?
The IUPAC name of methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate (CID 15632606) is methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate.
What is the SMILES notation for methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate?
The canonical SMILES for methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate is COC(=O)/C=C/CCN1C(=O)CCC1=O.
What is the InChIKey of methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate?
The InChIKey is NVNIBAORAVWXIU-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-10(14)4-2-3-7-11-8(12)5-6-9(11)13/h2,4H,3,5-7H2,1H3/b4-2+.
What are the key properties of methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate?
methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate has a molecular weight of 211.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate is sourced from PubChem (CID 15632606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).