(4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione

C29H35NO5 — CID 108586866

IUPAC(4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
SMILESCc1cc(/C(O)=C2\C(=O)C(=O)N(C3CCCC3)C2c2cccc(OC(C)C)c2)ccc1OC(C)C
InChIInChI=1S/C29H35NO5/c1-17(2)34-23-12-8-9-20(16-23)26-25(28(32)29(33)30(26)22-10-6-7-11-22)27(31)21-13-14-24(19(5)15-21)35-18(3)4/h8-9,12-18,22,26,31H,6-7,10-11H2,1-5H3/b27-25+
InChIKeyHYTQCPRHNRJALD-IMVLJIQESA-N
MW477.60 g/mol
LogP5.93
Rot. Bonds7

About (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione

(4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108586866) has the molecular formula C29H35NO5 and a molecular weight of 477.60 g/mol. Its IUPAC name is (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
PubChem CID108586866
Molecular FormulaC29H35NO5
Molecular Weight477.60 g/mol
Exact Mass477.25
IUPAC Name(4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
SMILESCc1cc(/C(O)=C2\C(=O)C(=O)N(C3CCCC3)C2c2cccc(OC(C)C)c2)ccc1OC(C)C
InChIInChI=1S/C29H35NO5/c1-17(2)34-23-12-8-9-20(16-23)26-25(28(32)29(33)30(26)22-10-6-7-11-22)27(31)21-13-14-24(19(5)15-21)35-18(3)4/h8-9,12-18,22,26,31H,6-7,10-11H2,1-5H3/b27-25+
InChIKeyHYTQCPRHNRJALD-IMVLJIQESA-N
XLogP5.93
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione 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)-1-cyclopentyl-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586843
(4Z)-1-cyclopentyl-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586846
(4Z)-1-cyclopentyl-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108614066
(4Z)-1-cyclohexyl-5-(3-hydroxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108648093
(4E)-1-cyclopentyl-4-[(3,5-dichloro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586830
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-1-cyclohexyl-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108613461
(4Z)-1-cyclopentyl-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
CID 108636903
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-pentyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586779
(4Z)-1-cyclopentyl-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586411
(4Z)-1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108620434
(4Z)-1-cyclopentyl-5-(4-ethoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108635891
(4Z)-1-cyclohexyl-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108619651

Frequently Asked Questions

What is the IUPAC name of (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione (CID 108586866) is (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione is Cc1cc(/C(O)=C2\C(=O)C(=O)N(C3CCCC3)C2c2cccc(OC(C)C)c2)ccc1OC(C)C.
What is the InChIKey of (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is HYTQCPRHNRJALD-IMVLJIQESA-N. The full InChI is InChI=1S/C29H35NO5/c1-17(2)34-23-12-8-9-20(16-23)26-25(28(32)29(33)30(26)22-10-6-7-11-22)27(31)21-13-14-24(19(5)15-21)35-18(3)4/h8-9,12-18,22,26,31H,6-7,10-11H2,1-5H3/b27-25+.
What are the key properties of (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
(4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 477.60 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-cyclopentyl-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108586866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).