3a,4-Dimethyl-2,3,3a,4-tetrahydropyrrolo(2,1-b)quinazoline-1,9-dione

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Basic information

CAS: 82562-30-9
Standard SMILES: CN1c2ccccc2C(=O)N2C(=O)CCC21C
InChIKey: VSOJELGDIBHFIY-UHFFFAOYSA-N
Molecular formula: C13H14N2O2
Average molar mass: 230.26 g/mol
Monoisotopic mass: 230.10552769

Names & identifiers

Preferred name: 3a,4-Dimethyl-2,3,3a,4-tetrahydropyrrolo(2,1-b)quinazoline-1,9-dione
IUPAC: 3a,4-dimethyl-2,3-dihydropyrrolo[2,1-b]quinazoline-1,9-dione

Names & synonyms

8KD40B9G8H82562-30-9NSC374612NSC 374612UNII-8KD40B9G8H3a,4-Dimethyl-2,3,3a,4-tetrahydropyrrolo(2,1-b)quinazoline-1,9-dioneNSC-3746122,3,3a,4-Tetrahydro-3a,4-dimethylpyrrolo(2,1-b)quinazoline-1,9-dione3a,4-Dimethyl-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazoline-1,9-dione3a,4-dimethyl-2,3-dihydropyrrolo[2,1-b]quinazoline-1,9-dionePYRROLO(2,1-B)QUINAZOLINE-1,9-DIONE, 2,3,3A,4-TETRAHYDRO-3A,4-DIMETHYL-

Database identifiers

CAS: 82562-30-9
PubChem CID: 341682
UNII: 8KD40B9G8H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 382

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Compound notes

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