(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one

C15H13NO — CID 15416039

IUPAC(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1N[C@H](c2ccccc2)Cc2ccccc21
InChIInChI=1S/C15H13NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,16,17)/t14-/m0/s1
InChIKeyVMTGXGJJANYCDX-AWEZNQCLSA-N
MW223.28 g/mol
LogP2.71
Rot. Bonds1

About (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one

(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 15416039) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID15416039
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1N[C@H](c2ccccc2)Cc2ccccc21
InChIInChI=1S/C15H13NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,16,17)/t14-/m0/s1
InChIKeyVMTGXGJJANYCDX-AWEZNQCLSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 90836953
(3S)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 102288826
4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 102550817
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
11-azatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-one
CID 91060740
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
(2E,13S)-2,13-diphenyl-10,12-diazatricyclo[13.4.0.04,9]nonadeca-1(19),2,4,6,8,15,17-heptaen-11-one
CID 154707272
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 118856234
2-phenyl-2,3-dihydro-1H-1,8-naphthyridin-4-one
CID 132536769
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 167326828
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one (CID 15416039) is (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one is O=C1N[C@H](c2ccccc2)Cc2ccccc21.
What is the InChIKey of (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is VMTGXGJJANYCDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,16,17)/t14-/m0/s1.
What are the key properties of (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 223.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 15416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).