Alsterpaullone
An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 237430-03-4 | ChEBI ↗ |
| Molecular formula | C16H11N3O3 | ChEBI ↗ |
| Molar mass | 293.282 g/mol | ChEBI ↗ |
| Monoisotopic mass | 293.08004 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:138488 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 293.28 g/mol | PubChem ↗ |
| Exact mass | 293.08004122 Da | PubChem ↗ |
| Computed XLogP | 2.4 | PubChem ↗ |
| Topological polar surface area (Ų) | 90.7 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 0 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifieralsterpaullone9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-oneOLUKILHGKRVDCT-UHFFFAOYSA-NO=C1Cc2c(nc3ccc([N+](=O)[O-])cc23)-c2ccccc2N1InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 293.282 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCONHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.