(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one

C17H15NO4 — CID 7409055

IUPAC(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1
InChIInChI=1S/C17H15NO4/c1-2-10-5-7-11(8-6-10)14-13(16(20)17(21)18-14)15(19)12-4-3-9-22-12/h3-9,14,20H,2H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyWVEQFTAXNYZQBD-AWEZNQCLSA-N
MW297.31 g/mol
LogP2.71
Rot. Bonds4

About (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one

(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 7409055) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID7409055
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1
InChIInChI=1S/C17H15NO4/c1-2-10-5-7-11(8-6-10)14-13(16(20)17(21)18-14)15(19)12-4-3-9-22-12/h3-9,14,20H,2H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyWVEQFTAXNYZQBD-AWEZNQCLSA-N
XLogP2.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one (CID 7409055) is (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one is CCc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is WVEQFTAXNYZQBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-10-5-7-11(8-6-10)14-13(16(20)17(21)18-14)15(19)12-4-3-9-22-12/h3-9,14,20H,2H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 297.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7409055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).