bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate

C14H18N2O6 — CID 70562289

IUPACbis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCN1CCCC1=O)OCN1CCCC1=O
InChIInChI=1S/C14H18N2O6/c17-11-3-1-7-15(11)9-21-13(19)5-6-14(20)22-10-16-8-2-4-12(16)18/h5-6H,1-4,7-10H2/b6-5-
InChIKeyAUEZGCYAHMZUIK-WAYWQWQTSA-N
MW310.31 g/mol
LogP-0.21
Rot. Bonds6

About bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate

bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate (PubChem CID 70562289) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate
PubChem CID70562289
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Namebis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCN1CCCC1=O)OCN1CCCC1=O
InChIInChI=1S/C14H18N2O6/c17-11-3-1-7-15(11)9-21-13(19)5-6-14(20)22-10-16-8-2-4-12(16)18/h5-6H,1-4,7-10H2/b6-5-
InChIKeyAUEZGCYAHMZUIK-WAYWQWQTSA-N
XLogP-0.21
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate?
The IUPAC name of bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate (CID 70562289) is bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate.
What is the SMILES notation for bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate?
The canonical SMILES for bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate is O=C(/C=C\C(=O)OCN1CCCC1=O)OCN1CCCC1=O.
What is the InChIKey of bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate?
The InChIKey is AUEZGCYAHMZUIK-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H18N2O6/c17-11-3-1-7-15(11)9-21-13(19)5-6-14(20)22-10-16-8-2-4-12(16)18/h5-6H,1-4,7-10H2/b6-5-.
What are the key properties of bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate?
bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate has a molecular weight of 310.31 g/mol, XLogP of -0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-oxopyrrolidin-1-yl)methyl] (Z)-but-2-enedioate is sourced from PubChem (CID 70562289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).