3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one

C16H12N2O6 — CID 75793813

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N2O6/c1-17-13(9-4-6-10(7-5-9)18(22)23)12(15(20)16(17)21)14(19)11-3-2-8-24-11/h2-8,13,20H,1H3
InChIKeyCHLJNVGAVVYRIX-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.40
Rot. Bonds4

About 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one (PubChem CID 75793813) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
PubChem CID75793813
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N2O6/c1-17-13(9-4-6-10(7-5-9)18(22)23)12(15(20)16(17)21)14(19)11-3-2-8-24-11/h2-8,13,20H,1H3
InChIKeyCHLJNVGAVVYRIX-UHFFFAOYSA-N
XLogP2.40
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 7506198
(2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 6995103
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823
(2S)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 1316744
3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 7349143
1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 18814884
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 18815337
1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-nitrophenyl)-2H-pyrrol-5-one
CID 108696014
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037417
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 18816229
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582865
(2R)-3-acetyl-4-hydroxy-1-methyl-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 790624

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one (CID 75793813) is 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one is CN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The InChIKey is CHLJNVGAVVYRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O6/c1-17-13(9-4-6-10(7-5-9)18(22)23)12(15(20)16(17)21)14(19)11-3-2-8-24-11/h2-8,13,20H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one has a molecular weight of 328.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).