(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione

C13H14N2O2 — CID 39354240

IUPAC(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione
SMILESCN(C)N1C/C(=C\c2ccccc2)C(=O)C1=O
InChIInChI=1S/C13H14N2O2/c1-14(2)15-9-11(12(16)13(15)17)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKeyFMUVYZOHRIRUGH-DHZHZOJOSA-N
MW230.27 g/mol
LogP0.96
Rot. Bonds2

About (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione

(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione (PubChem CID 39354240) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione
PubChem CID39354240
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione
SMILESCN(C)N1C/C(=C\c2ccccc2)C(=O)C1=O
InChIInChI=1S/C13H14N2O2/c1-14(2)15-9-11(12(16)13(15)17)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKeyFMUVYZOHRIRUGH-DHZHZOJOSA-N
XLogP0.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
CID 92525029
3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976
1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
CID 67567619
3-[(4E)-4-benzylidene-2,3-dioxopyrrolidin-1-yl]propanoate
CID 6994910
(3E,5E)-3,5-dibenzylidene-1-[3-[(3E,5E)-3,5-dibenzylidene-4-oxopiperidine-1-carbonyl]benzoyl]piperidin-4-one
CID 70685306
1-benzyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one
CID 54125661
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
3,5-dibenzylidene-1-(2-phenylethyl)piperidin-4-one
CID 54220002
(3E,5E)-3,5-dibenzylidene-1-diethoxyphosphorylpiperidin-4-one
CID 52947928
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione?
The IUPAC name of (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione (CID 39354240) is (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione is CN(C)N1C/C(=C\c2ccccc2)C(=O)C1=O.
What is the InChIKey of (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione?
The InChIKey is FMUVYZOHRIRUGH-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14(2)15-9-11(12(16)13(15)17)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+.
What are the key properties of (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione?
(4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione has a molecular weight of 230.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-1-(dimethylamino)pyrrolidine-2,3-dione is sourced from PubChem (CID 39354240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).