3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

C20H15NO6 — CID 2934348

IUPAC3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccc(O)c1)c1ccco1
InChIInChI=1S/C20H15NO6/c22-13-5-1-4-12(10-13)17-16(18(23)15-7-3-9-27-15)19(24)20(25)21(17)11-14-6-2-8-26-14/h1-10,17,22,24H,11H2
InChIKeyNULHSMLKWOVKHZ-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.36
Rot. Bonds5

About 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 2934348) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID2934348
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccc(O)c1)c1ccco1
InChIInChI=1S/C20H15NO6/c22-13-5-1-4-12(10-13)17-16(18(23)15-7-3-9-27-15)19(24)20(25)21(17)11-14-6-2-8-26-14/h1-10,17,22,24H,11H2
InChIKeyNULHSMLKWOVKHZ-UHFFFAOYSA-N
XLogP3.36
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide
CID 2965322
2-(Furan-2-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
CID 565567
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2929761
{(2S)-1-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl}methanol
CID 23723343
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
4-(furan-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 2910339
N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3768297
3-Acetyl-2-(2-furyl)-4-hydroxy-5-oxo-1-benzyl-3-pyrroline
CID 653772
4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918603
3-Acetyl-2-(2-fluorophenyl)-1-(2-furylmethyl)-4-hydroxy-5-oxo-3-pyrroline
CID 565919
4-Acetyl-1-furan-2-ylmethyl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
CID 646898

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (CID 2934348) is 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccc(O)c1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is NULHSMLKWOVKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO6/c22-13-5-1-4-12(10-13)17-16(18(23)15-7-3-9-27-15)19(24)20(25)21(17)11-14-6-2-8-26-14/h1-10,17,22,24H,11H2.
What are the key properties of 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 365.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2934348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).