2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C18H17NO5 — CID 108653949

IUPAC2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccco1
InChIInChI=1S/C18H17NO5/c1-10(2)16(21)14-15(13-8-5-9-24-13)19(18(23)17(14)22)11-6-3-4-7-12(11)20/h3-10,15,20,22H,1-2H3
InChIKeyBSZGJCVKDDDBMI-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.11
Rot. Bonds4

About 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108653949) 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-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108653949
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccco1
InChIInChI=1S/C18H17NO5/c1-10(2)16(21)14-15(13-8-5-9-24-13)19(18(23)17(14)22)11-6-3-4-7-12(11)20/h3-10,15,20,22H,1-2H3
InChIKeyBSZGJCVKDDDBMI-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607609
methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108607522
1-cyclopentyl-2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108657057
4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629325
2-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108656024
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108655341
1-(4-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108655257
2-[4-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108607699
1-(2,4-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655428
1-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108653344
1-(2,5-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655776

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108653949) is 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is BSZGJCVKDDDBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-10(2)16(21)14-15(13-8-5-9-24-13)19(18(23)17(14)22)11-6-3-4-7-12(11)20/h3-10,15,20,22H,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 327.34 g/mol, XLogP of 3.11, 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-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108653949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).