(3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione

C14H11N3O3 — CID 164736966

IUPAC(3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
SMILESO=C1CC[C@H](c2[nH]oc3ccc4nccc4c23)C(=O)N1
InChIInChI=1S/C14H11N3O3/c18-11-4-1-8(14(19)16-11)13-12-7-5-6-15-9(7)2-3-10(12)20-17-13/h2-3,5-6,8,17H,1,4H2,(H,16,18,19)/t8-/m1/s1
InChIKeyOBIZGSSNYVVTJN-MRVPVSSYSA-N
MW269.26 g/mol
LogP1.83
Rot. Bonds1

About (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione

(3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione (PubChem CID 164736966) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
PubChem CID164736966
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
SMILESO=C1CC[C@H](c2[nH]oc3ccc4nccc4c23)C(=O)N1
InChIInChI=1S/C14H11N3O3/c18-11-4-1-8(14(19)16-11)13-12-7-5-6-15-9(7)2-3-10(12)20-17-13/h2-3,5-6,8,17H,1,4H2,(H,16,18,19)/t8-/m1/s1
InChIKeyOBIZGSSNYVVTJN-MRVPVSSYSA-N
XLogP1.83
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
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 (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione (CID 164736966) is (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione is O=C1CC[C@H](c2[nH]oc3ccc4nccc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
The InChIKey is OBIZGSSNYVVTJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-11-4-1-8(14(19)16-11)13-12-7-5-6-15-9(7)2-3-10(12)20-17-13/h2-3,5-6,8,17H,1,4H2,(H,16,18,19)/t8-/m1/s1.
What are the key properties of (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
(3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione has a molecular weight of 269.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2H-pyrrolo[3,2-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 164736966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).