4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C16H15NO5 — CID 75793943

IUPAC4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(C)C2c2ccc(C)o2)o1
InChIInChI=1S/C16H15NO5/c1-8-4-6-10(21-8)13-12(15(19)16(20)17(13)3)14(18)11-7-5-9(2)22-11/h4-7,13,19H,1-3H3
InChIKeyHYLSAAZGELOPRG-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.70
Rot. Bonds3

About 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 75793943) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
PubChem CID75793943
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(C)C2c2ccc(C)o2)o1
InChIInChI=1S/C16H15NO5/c1-8-4-6-10(21-8)13-12(15(19)16(20)17(13)3)14(18)11-7-5-9(2)22-11/h4-7,13,19H,1-3H3
InChIKeyHYLSAAZGELOPRG-UHFFFAOYSA-N
XLogP2.70
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 75793895
1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 661564
2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 75793931
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 75793923
3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108659143
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3386107
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(5-nitrofuran-2-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023292
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182905
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658854
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 3424055
4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 2917712
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 1081158

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 75793943) is 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(C)C2c2ccc(C)o2)o1.
What is the InChIKey of 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The InChIKey is HYLSAAZGELOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-8-4-6-10(21-8)13-12(15(19)16(20)17(13)3)14(18)11-7-5-9(2)22-11/h4-7,13,19H,1-3H3.
What are the key properties of 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 301.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).