2-Methyl-4-oxo-6,7,8,9-tetrahydro-[1,3]oxazino[4,5-b]indolizine-10-carbonitrile

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Basic information

Standard SMILES: Cc1nc2c(C#N)c3n(c2c(=O)o1)CCCC3
InChIKey: JANKGKDPWKKVOZ-UHFFFAOYSA-N
Molecular formula: C12H11N3O2
Average molar mass: 229.23 g/mol
Monoisotopic mass: 229.0851266

Names & identifiers

Preferred name: 2-Methyl-4-oxo-6,7,8,9-tetrahydro-[1,3]oxazino[4,5-b]indolizine-10-carbonitrile
IUPAC: 2-methyl-4-oxo-6,7,8,9-tetrahydro-[1,3]oxazino[4,5-b]indolizine-10-carbonitrile

Names & synonyms

NSC696797NSC-6967972-methyl-4-oxo-6,7,8,9-tetrahydro-[1,3]oxazino[4,5-b]indolizine-10-carbonitrile2-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-[1,3]oxazino[4,5-b]indolizine-10-carbonitrile

Database identifiers

PubChem CID: 393870

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 436

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Compound notes

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