5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one

C18H19NO4 — CID 161345511

IUPAC5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one
SMILESO=C1CCCN1.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C4H7NO/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;6-4-2-1-3-5-4/h1-9,15-17H;1-3H2,(H,5,6)
InChIKeyVNFVYVICSKEZKE-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.87
Rot. Bonds2

About 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one (PubChem CID 161345511) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one
PubChem CID161345511
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one
SMILESO=C1CCCN1.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C4H7NO/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;6-4-2-1-3-5-4/h1-9,15-17H;1-3H2,(H,5,6)
InChIKeyVNFVYVICSKEZKE-UHFFFAOYSA-N
XLogP2.87
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one (CID 161345511) is 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one is O=C1CCCN1.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one?
The InChIKey is VNFVYVICSKEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C4H7NO/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;6-4-2-1-3-5-4/h1-9,15-17H;1-3H2,(H,5,6).
What are the key properties of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one?
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one is sourced from PubChem (CID 161345511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).