6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate

C24H24NO6- — CID 7410020

IUPAC6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate
SMILESCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H25NO6/c1-31-18-13-11-17(12-14-18)22(28)20-21(16-8-4-2-5-9-16)25(24(30)23(20)29)15-7-3-6-10-19(26)27/h2,4-5,8-9,11-14,21,28H,3,6-7,10,15H2,1H3,(H,26,27)/p-1/t21-/m0/s1
InChIKeyBZVKNMLABBEXIX-NRFANRHFSA-M
MW422.46 g/mol
LogP2.43
Rot. Bonds9

About 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate

6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate (PubChem CID 7410020) has the molecular formula C24H24NO6- and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate.

Molecular Properties

Compound Name6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate
PubChem CID7410020
Molecular FormulaC24H24NO6-
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate
SMILESCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H25NO6/c1-31-18-13-11-17(12-14-18)22(28)20-21(16-8-4-2-5-9-16)25(24(30)23(20)29)15-7-3-6-10-19(26)27/h2,4-5,8-9,11-14,21,28H,3,6-7,10,15H2,1H3,(H,26,27)/p-1/t21-/m0/s1
InChIKeyBZVKNMLABBEXIX-NRFANRHFSA-M
XLogP2.43
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione
CID 6243946
3-[(5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propylazanium
CID 7307591
(4Z)-1-hexyl-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 5337292
(4Z)-1-(3-aminopropyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione;hydrochloride
CID 90485797
6-[3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 2878398
(5R)-1-(3-ethoxypropyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 95166833
(4E)-4-[hydroxy(phenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]-5-phenylpyrrolidine-2,3-dione
CID 57398000
1-[3-(dibutylamino)propyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 5178963
(4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 98367551
1-hexadecyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 4020954
(4E,5R)-1-hexadecyl-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
CID 98317977
6-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid
CID 5310646

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate?
The IUPAC name of 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate (CID 7410020) is 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate.
What is the SMILES notation for 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate?
The canonical SMILES for 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate is COc1ccc(C(O)=C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1.
What is the InChIKey of 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate?
The InChIKey is BZVKNMLABBEXIX-NRFANRHFSA-M. The full InChI is InChI=1S/C24H25NO6/c1-31-18-13-11-17(12-14-18)22(28)20-21(16-8-4-2-5-9-16)25(24(30)23(20)29)15-7-3-6-10-19(26)27/h2,4-5,8-9,11-14,21,28H,3,6-7,10,15H2,1H3,(H,26,27)/p-1/t21-/m0/s1.
What are the key properties of 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate?
6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate has a molecular weight of 422.46 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoate is sourced from PubChem (CID 7410020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).