5-Dimethylamino-1-indanone

HCID 600024

Notes Reactions

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Basic information

CAS: 51981-67-0
Standard SMILES: CN(C)c1ccc2c(c1)CCC2=O
InChIKey: XXAWPKPQMFWGTQ-UHFFFAOYSA-N
Molecular formula: C11H13NO
Average molar mass: 175.23 g/mol
Monoisotopic mass: 175.09971404

Names & identifiers

Preferred name: 5-Dimethylamino-1-indanone
IUPAC: 5-(dimethylamino)-2,3-dihydroinden-1-one

Names & synonyms

5-dimethylamino-1-indanone51981-67-0DTXSID50344865RefChem:302794DTXCID102959401H-Inden-1-one, 5-(dimethylamino)-2,3-dihydro-SCHEMBL67769555-(Dimethylamino)-1-indanone #AKOS0063706765-(Dimethylamino)-2,3-dihydro-1H-inden-1-one

Database identifiers

CAS: 51981-67-0
PubChem CID: 600024
DTXSID: DTXSID50344865

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 212

Related reactions

3 records

New reaction record

HRID 174466As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 478709As reactantuspto-grants-2003_11

HRID 1060769As reactantuspto-grants-2003_02

Compound notes

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