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3-Methyl-7,8-dihydroquinolin-5(6H)-one

HCID 595192
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
60247-70-3
Standard SMILES
Cc1cnc2c(c1)C(=O)CCC2
InChIKey
JPPNDGIYIIKFLF-UHFFFAOYSA-N
Molecular formula
C10H11NO
Average molar mass
161.2 g/mol
Monoisotopic mass
161.08406397

Names & identifiers

Preferred name
3-Methyl-7,8-dihydroquinolin-5(6H)-one
IUPAC
3-methyl-7,8-dihydro-6H-quinolin-5-one

Names & synonyms

3-Methyl-7,8-dihydroquinolin-5(6H)-one60247-70-33-Methyl-7,8-dihydro-5(6H)-quinolinone3-methyl-7,8-dihydro-6H-quinolin-5-oneMaybridge1_006690Maybridge1_006739SCHEMBL7368766HMS560K07JPPNDGIYIIKFLF-UHFFFAOYSA-DTXSID50344224AB085093-methyl-7,8-dihydro-5(6H)quinolone
Show more names
3-methyl-7,8-dihydro-5(6H)-quinoloneDA-045197,8-dihydro-3-methylquinolin-5(6H)-one7,8-Dihydro-3-methylquinoline-5[6H]one3-methyl-5-oxo-5,6,7,8-tetrahydroquinoline3-Methyl-7,8-dihydro-5(6H)-quinolinone #InChI=1/C10H11NO/c1-7-5-8-9(11-6-7)3-2-4-10(8)12/h5-6H,2-4H2,1H3

Database identifiers

CAS
60247-70-3
PubChem CID
595192
DTXSID
DTXSID50344224

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
190

Related reactions

15 records
New reaction record
HRID 135300 reaction equation
HRID 135300As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 372681 reaction equation
HRID 372681As productuspto-grants-1978_05
HRID 372682 reaction equation
HRID 372682As reactantuspto-grants-1978_05
HRID 372683 reaction equation
HRID 372683As productuspto-grants-1978_05
HRID 649178 reaction equation
HRID 649178As reactantuspto-grants-1988_04
HRID 798873 reaction equation
HRID 798873As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1120525 reaction equation
HRID 1120525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1290975 reaction equation
HRID 1290975As reactantuspto-grants-1998_05
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Compound notes

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