(2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide

C32H25F6N3O9 — CID 142990517

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide
SMILESC/C=C\C1=C(/C=C\C)C2(OC1=O)c1ccc(NC(=O)C(F)(F)F)cc1Oc1cc(NC(=O)C(F)(F)F)ccc12.CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H18F6N2O5.C6H7NO4/c1-3-5-15-16(6-4-2)24(39-21(15)35)17-9-7-13(33-22(36)25(27,28)29)11-19(17)38-20-12-14(8-10-18(20)24)34-23(37)26(30,31)32;1-4(8)11-7-5(9)2-3-6(7)10/h3-12H,1-2H3,(H,33,36)(H,34,37);2-3H2,1H3/b5-3-,6-4-;
InChIKeyJOAOUNYVADQJHR-VIOUERSGSA-N
MW709.55 g/mol
LogP5.66
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide

(2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide (PubChem CID 142990517) has the molecular formula C32H25F6N3O9 and a molecular weight of 709.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide
PubChem CID142990517
Molecular FormulaC32H25F6N3O9
Molecular Weight709.55 g/mol
Exact Mass709.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide
SMILESC/C=C\C1=C(/C=C\C)C2(OC1=O)c1ccc(NC(=O)C(F)(F)F)cc1Oc1cc(NC(=O)C(F)(F)F)ccc12.CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H18F6N2O5.C6H7NO4/c1-3-5-15-16(6-4-2)24(39-21(15)35)17-9-7-13(33-22(36)25(27,28)29)11-19(17)38-20-12-14(8-10-18(20)24)34-23(37)26(30,31)32;1-4(8)11-7-5(9)2-3-6(7)10/h3-12H,1-2H3,(H,33,36)(H,34,37);2-3H2,1H3/b5-3-,6-4-;
InChIKeyJOAOUNYVADQJHR-VIOUERSGSA-N
XLogP5.66
TPSA157.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.55
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide (CID 142990517) is (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide is C/C=C\C1=C(/C=C\C)C2(OC1=O)c1ccc(NC(=O)C(F)(F)F)cc1Oc1cc(NC(=O)C(F)(F)F)ccc12.CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide?
The InChIKey is JOAOUNYVADQJHR-VIOUERSGSA-N. The full InChI is InChI=1S/C26H18F6N2O5.C6H7NO4/c1-3-5-15-16(6-4-2)24(39-21(15)35)17-9-7-13(33-22(36)25(27,28)29)11-19(17)38-20-12-14(8-10-18(20)24)34-23(37)26(30,31)32;1-4(8)11-7-5(9)2-3-6(7)10/h3-12H,1-2H3,(H,33,36)(H,34,37);2-3H2,1H3/b5-3-,6-4-;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide?
(2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide has a molecular weight of 709.55 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) acetate;2,2,2-trifluoro-N-[5-oxo-3,4-bis[(Z)-prop-1-enyl]-6'-[(2,2,2-trifluoroacetyl)amino]spiro[furan-2,9'-xanthene]-3'-yl]acetamide is sourced from PubChem (CID 142990517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).