(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione

C22H23NO4 — CID 1121029

IUPAC(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione
SMILESCOc1ccccc1[C@@H]1C(=C(O)c2ccccc2)C(=O)C(=O)N1CC(C)C
InChIInChI=1S/C22H23NO4/c1-14(2)13-23-19(16-11-7-8-12-17(16)27-3)18(21(25)22(23)26)20(24)15-9-5-4-6-10-15/h4-12,14,19,24H,13H2,1-3H3/t19-/m1/s1
InChIKeyASLRPNQTDNTGSI-LJQANCHMSA-N
MW365.43 g/mol
LogP3.77
Rot. Bonds5

About (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione

(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione (PubChem CID 1121029) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione
PubChem CID1121029
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione
SMILESCOc1ccccc1[C@@H]1C(=C(O)c2ccccc2)C(=O)C(=O)N1CC(C)C
InChIInChI=1S/C22H23NO4/c1-14(2)13-23-19(16-11-7-8-12-17(16)27-3)18(21(25)22(23)26)20(24)15-9-5-4-6-10-15/h4-12,14,19,24H,13H2,1-3H3/t19-/m1/s1
InChIKeyASLRPNQTDNTGSI-LJQANCHMSA-N
XLogP3.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4Z)-4-[hydroxy(phenyl)methylidene]-1-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 126476669
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 108614580
(5S)-4-[hydroxy(phenyl)methylidene]-1-(2-methylpropyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
CID 1121035
(5R)-1-(2,2-dimethoxyethyl)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1092527
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dimethoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione
CID 5322378
(4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-methylpropyl)pyrrolidine-2,3-dione
CID 6253435
(4E,5S)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 5441463
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrolidine-2,3-dione
CID 108580063
(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 1122827
(5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrolidine-2,3-dione
CID 124605466
5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-methylpropyl)pyrrolidine-2,3-dione
CID 3716757
(5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-methylpropyl)pyrrolidine-2,3-dione
CID 1277133

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione?
The IUPAC name of (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione (CID 1121029) is (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione?
The canonical SMILES for (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione is COc1ccccc1[C@@H]1C(=C(O)c2ccccc2)C(=O)C(=O)N1CC(C)C.
What is the InChIKey of (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione?
The InChIKey is ASLRPNQTDNTGSI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(2)13-23-19(16-11-7-8-12-17(16)27-3)18(21(25)22(23)26)20(24)15-9-5-4-6-10-15/h4-12,14,19,24H,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione?
(5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione has a molecular weight of 365.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[hydroxy(phenyl)methylidene]-5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 1121029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).