2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one

C19H19NO4 — CID 108654648

IUPAC2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccco1
InChIInChI=1S/C19H19NO4/c1-12(2)11-14(21)16-17(15-9-6-10-24-15)20(19(23)18(16)22)13-7-4-3-5-8-13/h3-10,12,17,22H,11H2,1-2H3
InChIKeyTXRHXZSRCVLVJF-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.79
Rot. Bonds5

About 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 108654648) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
PubChem CID108654648
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccco1
InChIInChI=1S/C19H19NO4/c1-12(2)11-14(21)16-17(15-9-6-10-24-15)20(19(23)18(16)22)13-7-4-3-5-8-13/h3-10,12,17,22H,11H2,1-2H3
InChIKeyTXRHXZSRCVLVJF-UHFFFAOYSA-N
XLogP3.79
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108607699
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108607873
N-[3-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108608047
1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108607091
1-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108607265
1-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108653344
1-(4-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108655257
2-(furan-2-yl)-4-hydroxy-1-(3-hydroxypropyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859945
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108647473
2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108581009

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one (CID 108654648) is 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one is CC(C)CC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is TXRHXZSRCVLVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(2)11-14(21)16-17(15-9-6-10-24-15)20(19(23)18(16)22)13-7-4-3-5-8-13/h3-10,12,17,22H,11H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 325.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108654648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).