[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C19H13NO5 — CID 146213784

IUPAC[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C19H13NO5/c21-15-6-1-13(2-7-15)3-12-19(24)25-16-8-4-14(5-9-16)20-17(22)10-11-18(20)23/h1-12,21H/b12-3+
InChIKeyJAPZNAZCPGXRAS-KGVSQERTSA-N
MW335.32 g/mol
LogP2.44
Rot. Bonds4

About [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 146213784) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID146213784
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Name[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C19H13NO5/c21-15-6-1-13(2-7-15)3-12-19(24)25-16-8-4-14(5-9-16)20-17(22)10-11-18(20)23/h1-12,21H/b12-3+
InChIKeyJAPZNAZCPGXRAS-KGVSQERTSA-N
XLogP2.44
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-3-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate
CID 139577142
(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 118274615
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybenzoic acid
CID 67700859
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
[4-[(E)-3-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]carbonylphenoxy]-3-oxoprop-1-enyl]phenyl] 2,3,5,6-tetrafluoro-4-(4,4,4-trifluorobutoxy)benzoate
CID 146213821
phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
CID 118353282
(Z)-but-2-enedioic acid;[4-(2,5-dioxopyrrol-1-yl)phenyl] acetate
CID 172764746
[4-(2,5-dioxopyrrol-1-yl)phenyl] 3,5-dihydroxybenzoate
CID 58252778
[4-(2,5-dioxopyrrol-1-yl)phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 102372975
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 146213784) is [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)Oc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is JAPZNAZCPGXRAS-KGVSQERTSA-N. The full InChI is InChI=1S/C19H13NO5/c21-15-6-1-13(2-7-15)3-12-19(24)25-16-8-4-14(5-9-16)20-17(22)10-11-18(20)23/h1-12,21H/b12-3+.
What are the key properties of [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 335.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 146213784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).