(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate

C16H15NO5 — CID 146567329

IUPAC(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
SMILESCOc1ccc(/C=C/C=C/C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H15NO5/c1-21-13-8-6-12(7-9-13)4-2-3-5-16(20)22-17-14(18)10-11-15(17)19/h2-9H,10-11H2,1H3/b4-2+,5-3+
InChIKeyQGXIBVYEPGQRJA-ZUVMSYQZSA-N
MW301.30 g/mol
LogP1.87
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate

(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate (PubChem CID 146567329) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
PubChem CID146567329
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
SMILESCOc1ccc(/C=C/C=C/C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H15NO5/c1-21-13-8-6-12(7-9-13)4-2-3-5-16(20)22-17-14(18)10-11-15(17)19/h2-9H,10-11H2,1H3/b4-2+,5-3+
InChIKeyQGXIBVYEPGQRJA-ZUVMSYQZSA-N
XLogP1.87
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551866
cyclopropylmethyl 5-(4-methoxyphenyl)penta-2,4-dienoate
CID 173461822
(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
CID 173062460
(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551801
1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
CID 154707822
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
CID 71330676
3-(methylamino)propyl (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 155475595
(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
CID 89171740
6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 102591600
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate (CID 146567329) is (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate is COc1ccc(/C=C/C=C/C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate?
The InChIKey is QGXIBVYEPGQRJA-ZUVMSYQZSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-13-8-6-12(7-9-13)4-2-3-5-16(20)22-17-14(18)10-11-15(17)19/h2-9H,10-11H2,1H3/b4-2+,5-3+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate?
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate has a molecular weight of 301.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate is sourced from PubChem (CID 146567329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).