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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Related Compounds

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
4-[3-(4-hydroxyphenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 77066399
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 175297544
arsane;pyrrolidin-2-one
CID 174413202
astatane;pyrrolidin-2-one
CID 174831438
pyrrolidin-2-one;hydrate
CID 19382566
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
5-[(Z)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine;5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 163701124
ethane;pyrrolidin-2-one
CID 54451151
ethene;bis(pyrrolidin-2-one)
CID 67822125

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).