(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one

C19H15NO7 — CID 162864069

IUPAC(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1
InChIInChI=1S/C19H15NO7/c21-10-3-1-8(5-11(10)22)14-6-13(24)18-15(27-14)7-12(23)17(19(18)26)9-2-4-16(25)20-9/h1,3,5-7,9,21-23,26H,2,4H2,(H,20,25)/t9-/m1/s1
InChIKeyKVJIPWCWUFSXCX-SECBINFHSA-N
MW369.33 g/mol
LogP2.23
Rot. Bonds2

About (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one

(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one (PubChem CID 162864069) has the molecular formula C19H15NO7 and a molecular weight of 369.33 g/mol. Its IUPAC name is (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one
PubChem CID162864069
Molecular FormulaC19H15NO7
Molecular Weight369.33 g/mol
Exact Mass369.08
IUPAC Name(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1
InChIInChI=1S/C19H15NO7/c21-10-3-1-8(5-11(10)22)14-6-13(24)18-15(27-14)7-12(23)17(19(18)26)9-2-4-16(25)20-9/h1,3,5-7,9,21-23,26H,2,4H2,(H,20,25)/t9-/m1/s1
InChIKeyKVJIPWCWUFSXCX-SECBINFHSA-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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Related Compounds

5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]pyrrolidin-2-one
CID 71472716
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 162911312
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(1-methylpiperidin-2-yl)chromen-4-one
CID 162843770
2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
CID 135053109
6-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 74977563
6-[(2S,3R,4S,5S,6S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 163104503
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
CID 57343252
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,5,6-trihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]chromen-4-one
CID 162801595
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 162952090
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]chromen-4-one
CID 24862012
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 162903024

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one (CID 162864069) is (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one is O=C1CC[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)N1.
What is the InChIKey of (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one?
The InChIKey is KVJIPWCWUFSXCX-SECBINFHSA-N. The full InChI is InChI=1S/C19H15NO7/c21-10-3-1-8(5-11(10)22)14-6-13(24)18-15(27-14)7-12(23)17(19(18)26)9-2-4-16(25)20-9/h1,3,5-7,9,21-23,26H,2,4H2,(H,20,25)/t9-/m1/s1.
What are the key properties of (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one?
(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-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 (5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 162864069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).