Ethyl 3,4-dihydropyrrolo[3,4-b]indole-2(1H)-carboxylate

HCID 12371818

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Basic information

CAS: 63277-60-1
Standard SMILES: CCOC(=O)N1Cc2[nH]c3ccccc3c2C1
InChIKey: PHRMBLQCDWEVOR-UHFFFAOYSA-N
Molecular formula: C13H14N2O2
Average molar mass: 230.26 g/mol
Monoisotopic mass: 230.10552769

Names & identifiers

Preferred name: Ethyl 3,4-dihydropyrrolo[3,4-b]indole-2(1H)-carboxylate
IUPAC: ethyl 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylate

Names & synonyms

63277-60-1SCHEMBL11756202DTXSID40494883Ethyl 3,4-dihydropyrrolo[3,4-b]indole-2(1H)-carboxylatePHRMBLQCDWEVOR-UHFFFAOYSA-N2-carbethoxy- 1,2,3,4-tetrahydropyrrolo[3,4-b]indole

Database identifiers

CAS: 63277-60-1
PubChem CID: 12371818
DTXSID: DTXSID40494883

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 308

Related reactions

1 records

New reaction record

HRID 597543As productuspto-grants-1977_03

Compound notes

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