(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione

C13H14N2O2 — CID 44627216

IUPAC(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
SMILESCN(C)c1ccc(/C=C2\CC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O2/c1-15(2)11-5-3-9(4-6-11)7-10-8-12(16)14-13(10)17/h3-7H,8H2,1-2H3,(H,14,16,17)/b10-7+
InChIKeyDPKKPQYYNHXDBJ-JXMROGBWSA-N
MW230.27 g/mol
LogP1.18
Rot. Bonds2

About (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione

(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione (PubChem CID 44627216) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
PubChem CID44627216
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
SMILESCN(C)c1ccc(/C=C2\CC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O2/c1-15(2)11-5-3-9(4-6-11)7-10-8-12(16)14-13(10)17/h3-7H,8H2,1-2H3,(H,14,16,17)/b10-7+
InChIKeyDPKKPQYYNHXDBJ-JXMROGBWSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
(2E,5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135648181
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 70294018
3-[(3,5-dimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 77039937
(3Z,5Z)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
CID 45281164
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231536
(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
CID 20653368
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841106
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione (CID 44627216) is (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione is CN(C)c1ccc(/C=C2\CC(=O)NC2=O)cc1.
What is the InChIKey of (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione?
The InChIKey is DPKKPQYYNHXDBJ-JXMROGBWSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(2)11-5-3-9(4-6-11)7-10-8-12(16)14-13(10)17/h3-7H,8H2,1-2H3,(H,14,16,17)/b10-7+.
What are the key properties of (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione?
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 44627216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).