2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one

C18H17NO5 — CID 108655341

IUPAC2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)C1c1ccco1
InChIInChI=1S/C18H17NO5/c1-3-12(20)15-16(14-5-4-8-24-14)19(18(23)17(15)22)11-9-10(2)6-7-13(11)21/h4-9,16,21-22H,3H2,1-2H3
InChIKeyUFFUVSHNVDVEAS-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.17
Rot. Bonds4

About 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108655341) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108655341
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)C1c1ccco1
InChIInChI=1S/C18H17NO5/c1-3-12(20)15-16(14-5-4-8-24-14)19(18(23)17(15)22)11-9-10(2)6-7-13(11)21/h4-9,16,21-22H,3H2,1-2H3
InChIKeyUFFUVSHNVDVEAS-UHFFFAOYSA-N
XLogP3.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655428
1-(3,5-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108653689
1-(2,5-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655776
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582865
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108607001
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633684
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108653949
1-(4-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108655257
1-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108608646
1-(3,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108653687
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108657145

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one (CID 108655341) is 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is UFFUVSHNVDVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-3-12(20)15-16(14-5-4-8-24-14)19(18(23)17(15)22)11-9-10(2)6-7-13(11)21/h4-9,16,21-22H,3H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 327.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108655341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).