(4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

C23H24N2O5 — CID 108580644

IUPAC(4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
SMILESCOc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2C2CCCC2)c1OC
InChIInChI=1S/C23H24N2O5/c1-29-17-9-5-8-16(22(17)30-2)19-18(20(26)14-10-12-24-13-11-14)21(27)23(28)25(19)15-6-3-4-7-15/h5,8-13,15,19,26H,3-4,6-7H2,1-2H3/b20-18-
InChIKeyAGVXTFMLMPCUNI-ZZEZOPTASA-N
MW408.45 g/mol
LogP3.46
Rot. Bonds5

About (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

(4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108580644) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
PubChem CID108580644
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
SMILESCOc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2C2CCCC2)c1OC
InChIInChI=1S/C23H24N2O5/c1-29-17-9-5-8-16(22(17)30-2)19-18(20(26)14-10-12-24-13-11-14)21(27)23(28)25(19)15-6-3-4-7-15/h5,8-13,15,19,26H,3-4,6-7H2,1-2H3/b20-18-
InChIKeyAGVXTFMLMPCUNI-ZZEZOPTASA-N
XLogP3.46
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4E)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108580667
(4Z)-1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108615073
(4Z)-4-[(4-chloro-3-ethoxyphenyl)-hydroxymethylidene]-1-cyclopentyl-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione
CID 108580623
(4E)-4-[(4-chloro-2,5-dimethoxyphenyl)-hydroxymethylidene]-1-cyclopentyl-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione
CID 108580627
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-cyclopentyl-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione
CID 108580690
(4Z)-1-cyclopentyl-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108635226
(4Z)-1-cyclohexyl-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108612474
(4Z)-1-cyclopentyl-4-[hydroxy(pyridin-4-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108640867
(4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108580425
(4Z)-1-cyclohexyl-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108634544
(4E)-1-cyclopentyl-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108615029
(4E,5S)-5-(2,3-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 40578551

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione (CID 108580644) is (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is COc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2C2CCCC2)c1OC.
What is the InChIKey of (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is AGVXTFMLMPCUNI-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H24N2O5/c1-29-17-9-5-8-16(22(17)30-2)19-18(20(26)14-10-12-24-13-11-14)21(27)23(28)25(19)15-6-3-4-7-15/h5,8-13,15,19,26H,3-4,6-7H2,1-2H3/b20-18-.
What are the key properties of (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione?
(4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 408.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-cyclopentyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108580644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).