3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione

C12H12N2O4 — CID 43637820

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3c(c2)OCCO3)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-11-6-8(12(16)14-11)13-7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5,8,13H,3-4,6H2,(H,14,15,16)
InChIKeyDWYBWPSOXFNNPC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.28
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione (PubChem CID 43637820) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione
PubChem CID43637820
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3c(c2)OCCO3)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-11-6-8(12(16)14-11)13-7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5,8,13H,3-4,6H2,(H,14,15,16)
InChIKeyDWYBWPSOXFNNPC-UHFFFAOYSA-N
XLogP0.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyrrolidine-2,5-dione
CID 43637809
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43637753
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43824703
3-(1,3-benzothiazol-6-ylamino)pyrrolidine-2,5-dione
CID 107804200
3-(4-butylanilino)pyrrolidine-2,5-dione
CID 43637893
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclobutane-1-carboxylic acid
CID 117027778
3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione
CID 172603649
3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43637684
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 167835116
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135411

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione (CID 43637820) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc3c(c2)OCCO3)C(=O)N1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione?
The InChIKey is DWYBWPSOXFNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-11-6-8(12(16)14-11)13-7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5,8,13H,3-4,6H2,(H,14,15,16).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione?
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione has a molecular weight of 248.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).