(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione

C13H17N3O2 — CID 789739

IUPAC(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(N[C@@H]2CC(=O)N(N(C)C)C2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-9-4-6-10(7-5-9)14-11-8-12(17)16(13(11)18)15(2)3/h4-7,11,14H,8H2,1-3H3/t11-/m1/s1
InChIKeyOBFUDJVHNNVTIK-LLVKDONJSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds3

About (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione

(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 789739) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione
PubChem CID789739
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(N[C@@H]2CC(=O)N(N(C)C)C2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-9-4-6-10(7-5-9)14-11-8-12(17)16(13(11)18)15(2)3/h4-7,11,14H,8H2,1-3H3/t11-/m1/s1
InChIKeyOBFUDJVHNNVTIK-LLVKDONJSA-N
XLogP1.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(dimethylamino)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 872593
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
ethyl 3-(4-methylanilino)-2,5-dioxopyrrolidine-1-carboxylate
CID 12802325
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928103
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928102
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360
(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2274438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione (CID 789739) is (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione is Cc1ccc(N[C@@H]2CC(=O)N(N(C)C)C2=O)cc1.
What is the InChIKey of (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is OBFUDJVHNNVTIK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-6-10(7-5-9)14-11-8-12(17)16(13(11)18)15(2)3/h4-7,11,14H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione?
(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 789739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).