(Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid

C10H11NO6 — CID 175921450

IUPAC(Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid
SMILESCC/C(C(=O)O)=C(\C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6/c1-2-5(9(14)15)8(10(16)17)11-6(12)3-4-7(11)13/h2-4H2,1H3,(H,14,15)(H,16,17)/b8-5-
InChIKeySOUWRKVQUUTDCL-YVMONPNESA-N
MW241.20 g/mol
LogP-0.03
Rot. Bonds4

About (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid

(Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid (PubChem CID 175921450) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid
PubChem CID175921450
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name(Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid
SMILESCC/C(C(=O)O)=C(\C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6/c1-2-5(9(14)15)8(10(16)17)11-6(12)3-4-7(11)13/h2-4H2,1H3,(H,14,15)(H,16,17)/b8-5-
InChIKeySOUWRKVQUUTDCL-YVMONPNESA-N
XLogP-0.03
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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 (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid?
The IUPAC name of (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid (CID 175921450) is (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid.
What is the SMILES notation for (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid?
The canonical SMILES for (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid is CC/C(C(=O)O)=C(\C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid?
The InChIKey is SOUWRKVQUUTDCL-YVMONPNESA-N. The full InChI is InChI=1S/C10H11NO6/c1-2-5(9(14)15)8(10(16)17)11-6(12)3-4-7(11)13/h2-4H2,1H3,(H,14,15)(H,16,17)/b8-5-.
What are the key properties of (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid?
(Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid has a molecular weight of 241.20 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dioxopyrrolidin-1-yl)-3-ethylbut-2-enedioic acid is sourced from PubChem (CID 175921450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).