2-methyl-6-nitro-2,3,4,9-tetrahydro-1H-beta-carboline

HCID 59843441
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Basic information

Standard SMILES
CN1CCc2c([nH]c3ccc([N+](=O)[O-])cc23)C1
InChIKey
VCSXKWSOWJCRHE-UHFFFAOYSA-N
Molecular formula
C12H13N3O2
Average molar mass
231.25 g/mol

Names & identifiers

Preferred name
2-methyl-6-nitro-2,3,4,9-tetrahydro-1H-beta-carboline
IUPAC
2-methyl-6-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole

Names & synonyms

SCHEMBL3877880VCSXKWSOWJCRHE-UHFFFAOYSA-N2-methyl-6-nitro-2,3,4,9-tetrahydro-1H-beta-carboline

Database identifiers

PubChem CID
59843441

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
64.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
17

Related reactions

4 records
New reaction record

Linked notes

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