6-Amino-5,7-dimethyl-3,4-dihydronaphthalen-1(2H)-one

HCID 55271663

Notes Reactions

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Basic information

Standard SMILES: Cc1cc2c(c(C)c1N)CCCC2=O
InChIKey: IKINONKXQKCTKP-UHFFFAOYSA-N
Molecular formula: C12H15NO
Average molar mass: 189.25 g/mol
Monoisotopic mass: 189.1153641

Names & identifiers

Preferred name: 6-Amino-5,7-dimethyl-3,4-dihydronaphthalen-1(2H)-one
IUPAC: 6-amino-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

Names & synonyms

6-amino-5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one100389-92-26-Amino-5,7-dimethyl-3,4-dihydronaphthalen-1(2H)-oneSCHEMBL2493281IKINONKXQKCTKP-UHFFFAOYSA-NAKOS006320747

Database identifiers

PubChem CID: 55271663

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 238

Related reactions

4 records

New reaction record

HRID 1215574As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1662282As productuspto-grants-2011_10

HRID 1662283As reactantuspto-grants-2011_10

HRID 2333215As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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