(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate

C19H22N2O6 — CID 89248556

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate
SMILESC=C/C=C(\C=C/CN1C(=O)C=CC1=O)CCCC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C19H22N2O6/c1-2-5-14(7-4-13-20-15(22)9-10-16(20)23)6-3-8-19(26)27-21-17(24)11-12-18(21)25/h2,4-5,7,9-10,17,24H,1,3,6,8,11-13H2/b7-4-,14-5-
InChIKeyZEIAGDLGUIEUOA-GIURUWCZSA-N
MW374.39 g/mol
LogP1.15
Rot. Bonds9

About (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate

(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate (PubChem CID 89248556) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate
PubChem CID89248556
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate
SMILESC=C/C=C(\C=C/CN1C(=O)C=CC1=O)CCCC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C19H22N2O6/c1-2-5-14(7-4-13-20-15(22)9-10-16(20)23)6-3-8-19(26)27-21-17(24)11-12-18(21)25/h2,4-5,7,9-10,17,24H,1,3,6,8,11-13H2/b7-4-,14-5-
InChIKeyZEIAGDLGUIEUOA-GIURUWCZSA-N
XLogP1.15
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-Hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 91488977

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate (CID 89248556) is (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate is C=C/C=C(\C=C/CN1C(=O)C=CC1=O)CCCC(=O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate?
The InChIKey is ZEIAGDLGUIEUOA-GIURUWCZSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-2-5-14(7-4-13-20-15(22)9-10-16(20)23)6-3-8-19(26)27-21-17(24)11-12-18(21)25/h2,4-5,7,9-10,17,24H,1,3,6,8,11-13H2/b7-4-,14-5-.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate has a molecular weight of 374.39 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate is sourced from PubChem (CID 89248556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).