4,9-dihydro-3H-pyrano[3,4-b]indol-1-one

HCID 326178

Notes Reactions

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Basic information

CAS: 6250-88-0
Standard SMILES: O=C1OCCc2c1[nH]c1ccccc21
InChIKey: RMHNIAIULSGOBR-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.19 g/mol
Monoisotopic mass: 187.06332853

Names & identifiers

Preferred name: 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one
IUPAC: 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one

Names & synonyms

4,9-dihydro-3H-pyrano[3,4-b]indol-1-one6250-88-01H,3H,4H,9H-pyrano[3,4-b]indol-1-one4,9-Dihydropyrano[3,4-b]indol-1(3H)-oneNSC648076SCHEMBL1520228DTXSID40315721RMHNIAIULSGOBR-UHFFFAOYSA-NNSC296534AKOS005067052NSC-296534NSC-648076

Database identifiers

CAS: 6250-88-0
PubChem CID: 326178
DTXSID: DTXSID40315721
Nikkaji: J1.478.365B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 254

Related reactions

2 records

New reaction record

HRID 858278As reactantuspto-grants-2006_12

HRID 1137924As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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