(4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione

C13H14N2O2 — CID 5395603

IUPAC(4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione
SMILESC/C(N)=C1\C(=O)C(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-8(14)10-11(9-6-4-3-5-7-9)15(2)13(17)12(10)16/h3-7,11H,14H2,1-2H3/b10-8+/t11-/m1/s1
InChIKeyNFJVDNZGCRQMRP-RJCSOLBVSA-N
MW230.27 g/mol
LogP1.00
Rot. Bonds1

About (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione

(4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione (PubChem CID 5395603) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione
PubChem CID5395603
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione
SMILESC/C(N)=C1\C(=O)C(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-8(14)10-11(9-6-4-3-5-7-9)15(2)13(17)12(10)16/h3-7,11H,14H2,1-2H3/b10-8+/t11-/m1/s1
InChIKeyNFJVDNZGCRQMRP-RJCSOLBVSA-N
XLogP1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

(5S)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
CID 790674
4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
CID 2868090
(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 19590620
(5R)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 845548
4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
CID 2868730
(4E,5S)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methylpyrrolidine-2,3-dione
CID 5440903
(5R)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methylpyrrolidine-2,3-dione
CID 1102556
(5R)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 1102552
5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 2868258
(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
CID 1117300
(4E)-1-[4-(dimethylamino)phenyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 108597836
1-hydroxy-2-imino-4-methyl-3-phenyl-3H-1,4-benzodiazepin-5-one
CID 21428199

Frequently Asked Questions

What is the IUPAC name of (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione (CID 5395603) is (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione is C/C(N)=C1\C(=O)C(=O)N(C)[C@@H]1c1ccccc1.
What is the InChIKey of (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione?
The InChIKey is NFJVDNZGCRQMRP-RJCSOLBVSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(14)10-11(9-6-4-3-5-7-9)15(2)13(17)12(10)16/h3-7,11H,14H2,1-2H3/b10-8+/t11-/m1/s1.
What are the key properties of (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione?
(4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione has a molecular weight of 230.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5R)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 5395603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).