3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione

C11H10N4O2 — CID 3593558

IUPAC3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(n2nnc3ccccc32)C1=O
InChIInChI=1S/C11H10N4O2/c1-14-10(16)6-9(11(14)17)15-8-5-3-2-4-7(8)12-13-15/h2-5,9H,6H2,1H3
InChIKeyFDKLATISKUZJRJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.36
Rot. Bonds1

About 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione

3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 3593558) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID3593558
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(n2nnc3ccccc32)C1=O
InChIInChI=1S/C11H10N4O2/c1-14-10(16)6-9(11(14)17)15-8-5-3-2-4-7(8)12-13-15/h2-5,9H,6H2,1H3
InChIKeyFDKLATISKUZJRJ-UHFFFAOYSA-N
XLogP0.36
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione (CID 3593558) is 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(n2nnc3ccccc32)C1=O.
What is the InChIKey of 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is FDKLATISKUZJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-14-10(16)6-9(11(14)17)15-8-5-3-2-4-7(8)12-13-15/h2-5,9H,6H2,1H3.
What are the key properties of 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione?
3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 230.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 3593558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).