2,7-dimethyl-5,6,7,8-tetrahydro-4H-furo[2,3-c]azepin-4-ol

HCID 68410119

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc2c(o1)CN(C)CCC2O
InChIKey: PRUXDUFFMFTYQO-UHFFFAOYSA-N
Molecular formula: C10H15NO2
Average molar mass: 181.23 g/mol

Names & identifiers

Preferred name: 2,7-dimethyl-5,6,7,8-tetrahydro-4H-furo[2,3-c]azepin-4-ol
IUPAC: 2,7-dimethyl-4,5,6,8-tetrahydrofuro[2,3-c]azepin-4-ol

Names & synonyms

SCHEMBL2837063PRUXDUFFMFTYQO-UHFFFAOYSA-N2,7-dimethy-5,6,7,8-tetrahydro-4H-furo[2,3-c]azepin-4-ol2,7-dimethyl-5,6,7,8-tetrahydro-4H-furo[2,3-c]azepin-4-ol

Database identifiers

PubChem CID: 68410119

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 36.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Related reactions

18 records

New reaction record

HRID 146746As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 298242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 956368As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1224494As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1240537As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1511653As reactantuspto-grants-2012_07

HRID 1511670As reactantuspto-grants-2012_07

HRID 1511686As reactantuspto-grants-2012_07

Linked notes

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