1-(3,5-diaminophenyl)pyrrolidine-2,5-dione

C10H11N3O2 — CID 69179258

IUPAC1-(3,5-diaminophenyl)pyrrolidine-2,5-dione
SMILESNc1cc(N)cc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C10H11N3O2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2,11-12H2
InChIKeyHBKLRUGVHYVWPQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.50
Rot. Bonds1

About 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione

1-(3,5-diaminophenyl)pyrrolidine-2,5-dione (PubChem CID 69179258) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-diaminophenyl)pyrrolidine-2,5-dione
PubChem CID69179258
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(3,5-diaminophenyl)pyrrolidine-2,5-dione
SMILESNc1cc(N)cc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C10H11N3O2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2,11-12H2
InChIKeyHBKLRUGVHYVWPQ-UHFFFAOYSA-N
XLogP0.50
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione (CID 69179258) is 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione is Nc1cc(N)cc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione?
The InChIKey is HBKLRUGVHYVWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2,11-12H2.
What are the key properties of 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione?
1-(3,5-diaminophenyl)pyrrolidine-2,5-dione has a molecular weight of 205.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diaminophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 69179258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).