3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione

C11H10N4O2 — CID 54867459

IUPAC3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc3[nH]ncc23)C(=O)N1
InChIInChI=1S/C11H10N4O2/c16-10-4-9(11(17)14-10)13-7-2-1-3-8-6(7)5-12-15-8/h1-3,5,9,13H,4H2,(H,12,15)(H,14,16,17)
InChIKeyLPWNYFFXVBDQGP-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.39
Rot. Bonds2

About 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione

3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione (PubChem CID 54867459) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione
PubChem CID54867459
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc3[nH]ncc23)C(=O)N1
InChIInChI=1S/C11H10N4O2/c16-10-4-9(11(17)14-10)13-7-2-1-3-8-6(7)5-12-15-8/h1-3,5,9,13H,4H2,(H,12,15)(H,14,16,17)
InChIKeyLPWNYFFXVBDQGP-UHFFFAOYSA-N
XLogP0.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione (CID 54867459) is 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2cccc3[nH]ncc23)C(=O)N1.
What is the InChIKey of 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione?
The InChIKey is LPWNYFFXVBDQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-10-4-9(11(17)14-10)13-7-2-1-3-8-6(7)5-12-15-8/h1-3,5,9,13H,4H2,(H,12,15)(H,14,16,17).
What are the key properties of 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione?
3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione has a molecular weight of 230.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 54867459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).