CC1(C)CC(=O)Nc2ccccc21
CAS: 76693-04-4
Name: 4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILES: CC1(C)CC(=O)Nc2ccccc21

Molecular Processing

Molecular formula
C11H13NO
Molecular weight
175.23
Exact mass
175.0997
XLogP
2.31
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
52.71

Supplementary Information

InChIKey: HMOBRUPKXAKFHS-UHFFFAOYSA-N
Synonyme
76693-04-44,4-dimethyl-3,4-dihydroquinolin-2(1H)-oneDTXSID40557467RefChem:285009DTXCID105082494,4-Dimethyl-1,3-dihydroquinolin-2-one4,4-DIMETHYL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-oneMFCD110404474,4-Dimethyl-2-oxoquinolineSCHEMBL377990SCHEMBL2329467SCHEMBL3083982SCHEMBL4003292SCHEMBL5633931HMOBRUPKXAKFHS-UHFFFAOYSA-NBDA69304AKOS006307037SB38655AS-42803DB-075169CS-03408194,4-dimethyl-3,4-dihyrdo-1H-quinolin-2-oneEN300-2019661,2,3,4-tetrahydro-4,4-dimethylquinolin-2-one4,4-Dimethyl-2-oxo-1,2,3,4-tetrahydroquinolineF2201794,4-Dimethyl-3,4-dihydroquinolin-2(1H)-one, 95%Z1198305563
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