(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione

C12H11NO4 — CID 741231

IUPAC(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
SMILESCOc1cc(/C=C2/C(=O)CNC2=O)ccc1O
InChIInChI=1S/C12H11NO4/c1-17-11-5-7(2-3-9(11)14)4-8-10(15)6-13-12(8)16/h2-5,14H,6H2,1H3,(H,13,16)/b8-4-
InChIKeyWUKYSHSRTGYFLQ-YWEYNIOJSA-N
MW233.22 g/mol
LogP0.48
Rot. Bonds2

About (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione

(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione (PubChem CID 741231) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
PubChem CID741231
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
SMILESCOc1cc(/C=C2/C(=O)CNC2=O)ccc1O
InChIInChI=1S/C12H11NO4/c1-17-11-5-7(2-3-9(11)14)4-8-10(15)6-13-12(8)16/h2-5,14H,6H2,1H3,(H,13,16)/b8-4-
InChIKeyWUKYSHSRTGYFLQ-YWEYNIOJSA-N
XLogP0.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 3391519
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
CID 130345281
CID 130345281
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 701594
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 4282741
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 141313690

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione (CID 741231) is (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is COc1cc(/C=C2/C(=O)CNC2=O)ccc1O.
What is the InChIKey of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is WUKYSHSRTGYFLQ-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H11NO4/c1-17-11-5-7(2-3-9(11)14)4-8-10(15)6-13-12(8)16/h2-5,14H,6H2,1H3,(H,13,16)/b8-4-.
What are the key properties of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 233.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 741231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).