1,10-Dimethyl-3,4-dihydro-1H-1,4-oxazino[4,3-a]indole-1-propanol

HCID 21389553

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1c2n(c3ccccc13)CCOC2(C)CCCO
InChIKey: JTXYXHISBMKLKI-UHFFFAOYSA-N
Molecular formula: C16H21NO2
Average molar mass: 259.34 g/mol

Names & identifiers

Preferred name: 1,10-Dimethyl-3,4-dihydro-1H-1,4-oxazino[4,3-a]indole-1-propanol
IUPAC: 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-ol

Names & synonyms

SCHEMBL11622556JTXYXHISBMKLKI-UHFFFAOYSA-N1,10-Dimethyl-3,4-dihydro-1H-1,4-oxazino[4,3-a]indole-1-propanol

Database identifiers

PubChem CID: 21389553

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 34.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 322

Related reactions

8 records

New reaction record

HRID 596958As reactantuspto-grants-1977_03

HRID 596959As reactantuspto-grants-1977_03

HRID 679718As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1535784As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1657751As reactantuspto-grants-1976_06

HRID 1657752As reactantuspto-grants-1976_06

HRID 1833556As reactantuspto-grants-1978_01

HRID 1833557As reactantuspto-grants-1978_01

Compound notes

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