5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one

C19H15NO7 — CID 71472716

IUPAC5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)N1
InChIInChI=1S/C19H15NO7/c21-10-3-1-8(5-11(10)22)15-7-14(25)18-13(24)6-12(23)17(19(18)27-15)9-2-4-16(26)20-9/h1,3,5-7,9,21-24H,2,4H2,(H,20,26)
InChIKeyDLTYTJBLQKDDMK-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.23
Rot. Bonds2

About 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one

5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one (PubChem CID 71472716) has the molecular formula C19H15NO7 and a molecular weight of 369.33 g/mol. Its IUPAC name is 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one
PubChem CID71472716
Molecular FormulaC19H15NO7
Molecular Weight369.33 g/mol
Exact Mass369.08
IUPAC Name5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)N1
InChIInChI=1S/C19H15NO7/c21-10-3-1-8(5-11(10)22)15-7-14(25)18-13(24)6-12(23)17(19(18)27-15)9-2-4-16(26)20-9/h1,3,5-7,9,21-24H,2,4H2,(H,20,26)
InChIKeyDLTYTJBLQKDDMK-UHFFFAOYSA-N
XLogP2.23
TPSA140.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one (CID 71472716) is 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one is O=C1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)N1.
What is the InChIKey of 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one?
The InChIKey is DLTYTJBLQKDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO7/c21-10-3-1-8(5-11(10)22)15-7-14(25)18-13(24)6-12(23)17(19(18)27-15)9-2-4-16(26)20-9/h1,3,5-7,9,21-24H,2,4H2,(H,20,26).
What are the key properties of 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one?
5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one has a molecular weight of 369.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one is sourced from PubChem (CID 71472716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).