Damirone B

HCID 2947

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Basic information

CAS: 138683-67-7
Standard SMILES: CN1CCc2c[nH]c3c2C1=CC(=O)C3=O
InChIKey: JYLGJUYDUWMFOL-UHFFFAOYSA-N
Molecular formula: C11H10N2O2
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.07422757

Overview

Damirone B has been reported in Zyzzya fuliginosa, Damiria, and Zyzzya with data available.

Names & identifiers

Preferred name: Damirone B
IUPAC: 7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
English name: Pyrrolo[4,3,2-de]quinoline-7,8-dione, 1,3,4,5-tetrahydro-5-methyl- (9CI)
Molecular formula: C11H10N2O2
Molecular weight: 202.2093

Names & synonyms

Damirone B138683-67-77-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione7-methyl-2,7-diazatricyclo(6.3.1.04,12)dodeca-1(12),3,8-triene-10,11-dioneRefChem:10829585-Methyl-4,5-dihydropyrrolo[4,3,2-de]quinoline-7,8(1H,3H)-dione5-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dionePyrrolo[4,3,2-de]quinoline-7,8-dione, 1,3,4,5-tetrahydro-5-methyl- (9CI)CHEMBL462951SCHEMBL9263961JYLGJUYDUWMFOL-UHFFFAOYSA-DTXSID40930190

Show more names

NSC700004NSC 700004NSC-700004Pyrrolo(4,3,2-de)quinoline-7,8-dione, 1,3,4,5-tetrahydro-5-methyl-Pyrrolo[4,2-de]quinoline-7,8-dione, 1,3,4,5-tetrahydro-5-methyl-InChI=1/C11H10N2O2/c1-13-3-2-6-5-12-10-9(6)7(13)4-8(14)11(10)15/h4-5,12H,2-3H2,1H3

Database identifiers

CAS: 138683-67-7
PubChem CID: 2947

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 53.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 375

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