(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one

C19H18N2O8 — CID 7506198

IUPAC(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C19H18N2O8/c22-8-11-28-10-7-20-16(12-3-5-13(6-4-12)21(26)27)15(18(24)19(20)25)17(23)14-2-1-9-29-14/h1-6,9,16,22,24H,7-8,10-11H2/t16-/m1/s1
InChIKeyRQQIGWXTLBKERC-MRXNPFEDSA-N
MW402.36 g/mol
LogP1.77
Rot. Bonds9

About (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one

(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one (PubChem CID 7506198) has the molecular formula C19H18N2O8 and a molecular weight of 402.36 g/mol. Its IUPAC name is (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one
PubChem CID7506198
Molecular FormulaC19H18N2O8
Molecular Weight402.36 g/mol
Exact Mass402.11
IUPAC Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C19H18N2O8/c22-8-11-28-10-7-20-16(12-3-5-13(6-4-12)21(26)27)15(18(24)19(20)25)17(23)14-2-1-9-29-14/h1-6,9,16,22,24H,7-8,10-11H2/t16-/m1/s1
InChIKeyRQQIGWXTLBKERC-MRXNPFEDSA-N
XLogP1.77
TPSA143.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 7462074
methyl 4-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 7461693
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 75793813
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209
(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
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108612179
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 661728
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108618033
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3311203
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401778
1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
CID 4520595

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one (CID 7506198) is (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1.
What is the InChIKey of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The InChIKey is RQQIGWXTLBKERC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O8/c22-8-11-28-10-7-20-16(12-3-5-13(6-4-12)21(26)27)15(18(24)19(20)25)17(23)14-2-1-9-29-14/h1-6,9,16,22,24H,7-8,10-11H2/t16-/m1/s1.
What are the key properties of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one?
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one has a molecular weight of 402.36 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-nitrophenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 7506198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).