3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane

C20H25NO3 — CID 143008790

IUPAC3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane
SMILESC=CC1=C(C=C)C(=O)N(CCCCc2ccc(O)cc2)C1=O.CC
InChIInChI=1S/C18H19NO3.C2H6/c1-3-15-16(4-2)18(22)19(17(15)21)12-6-5-7-13-8-10-14(20)11-9-13;1-2/h3-4,8-11,20H,1-2,5-7,12H2;1-2H3
InChIKeyNOXLFEXITLIHMF-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.78
Rot. Bonds7

About 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane

3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane (PubChem CID 143008790) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane
PubChem CID143008790
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane
SMILESC=CC1=C(C=C)C(=O)N(CCCCc2ccc(O)cc2)C1=O.CC
InChIInChI=1S/C18H19NO3.C2H6/c1-3-15-16(4-2)18(22)19(17(15)21)12-6-5-7-13-8-10-14(20)11-9-13;1-2/h3-4,8-11,20H,1-2,5-7,12H2;1-2H3
InChIKeyNOXLFEXITLIHMF-UHFFFAOYSA-N
XLogP3.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane?
The IUPAC name of 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane (CID 143008790) is 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane.
What is the SMILES notation for 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane?
The canonical SMILES for 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane is C=CC1=C(C=C)C(=O)N(CCCCc2ccc(O)cc2)C1=O.CC.
What is the InChIKey of 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane?
The InChIKey is NOXLFEXITLIHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C2H6/c1-3-15-16(4-2)18(22)19(17(15)21)12-6-5-7-13-8-10-14(20)11-9-13;1-2/h3-4,8-11,20H,1-2,5-7,12H2;1-2H3.
What are the key properties of 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane?
3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane has a molecular weight of 327.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane is sourced from PubChem (CID 143008790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).