(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione

C14H15N3O3 — CID 27830846

IUPAC(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](N3CCC(=O)N3)C2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-9-2-4-10(5-3-9)17-13(19)8-11(14(17)20)16-7-6-12(18)15-16/h2-5,11H,6-8H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyJVVKZBLHCPTWQB-LLVKDONJSA-N
MW273.29 g/mol
LogP0.36
Rot. Bonds2

About (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione

(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 27830846) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione
PubChem CID27830846
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](N3CCC(=O)N3)C2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-9-2-4-10(5-3-9)17-13(19)8-11(14(17)20)16-7-6-12(18)15-16/h2-5,11H,6-8H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyJVVKZBLHCPTWQB-LLVKDONJSA-N
XLogP0.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1022289
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
methyl 1-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 1221433
(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 978676
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
1-(4-methylphenyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 43832992
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione (CID 27830846) is (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@@H](N3CCC(=O)N3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is JVVKZBLHCPTWQB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-2-4-10(5-3-9)17-13(19)8-11(14(17)20)16-7-6-12(18)15-16/h2-5,11H,6-8H2,1H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione?
(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 273.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 27830846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).