1-(4-aminophenyl)-1,3-diazinane-2,4-dione

C10H11N3O2 — CID 77166782

IUPAC1-(4-aminophenyl)-1,3-diazinane-2,4-dione
SMILESNc1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6,11H2,(H,12,14,15)
InChIKeyWKQPBPSJVFRTFL-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.72
Rot. Bonds1

About 1-(4-aminophenyl)-1,3-diazinane-2,4-dione

1-(4-aminophenyl)-1,3-diazinane-2,4-dione (PubChem CID 77166782) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-aminophenyl)-1,3-diazinane-2,4-dione
PubChem CID77166782
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(4-aminophenyl)-1,3-diazinane-2,4-dione
SMILESNc1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6,11H2,(H,12,14,15)
InChIKeyWKQPBPSJVFRTFL-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-aminophenyl)-1,3-diazinane-2,4-dione (CID 77166782) is 1-(4-aminophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-aminophenyl)-1,3-diazinane-2,4-dione is Nc1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is WKQPBPSJVFRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6,11H2,(H,12,14,15).
What are the key properties of 1-(4-aminophenyl)-1,3-diazinane-2,4-dione?
1-(4-aminophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77166782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).