2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one

C13H15NO — CID 171522935

IUPAC2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
SMILESC=C(C)c1ccc2c(c1)C(=O)N(C)CC2
InChIInChI=1S/C13H15NO/c1-9(2)11-5-4-10-6-7-14(3)13(15)12(10)8-11/h4-5,8H,1,6-7H2,2-3H3
InChIKeySDLNKXRGKWSRGC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.35
Rot. Bonds1

About 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one

2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 171522935) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
PubChem CID171522935
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
SMILESC=C(C)c1ccc2c(c1)C(=O)N(C)CC2
InChIInChI=1S/C13H15NO/c1-9(2)11-5-4-10-6-7-14(3)13(15)12(10)8-11/h4-5,8H,1,6-7H2,2-3H3
InChIKeySDLNKXRGKWSRGC-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
2-Methyl-N,N-diethylbenzamide
CID 75945
Benzoylpiperidine
CID 69892
N,N-Diethyl-p-toluamide
CID 75946
3,4-dihydroisoquinolin-1(2H)-one
CID 150896
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
2-methylisoquinoline-1,3,4(2H)-trione
CID 1714901
Naphthalenediimide
CID 157464
Bunaftine
CID 36131
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
3-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2826771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one (CID 171522935) is 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one is C=C(C)c1ccc2c(c1)C(=O)N(C)CC2.
What is the InChIKey of 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is SDLNKXRGKWSRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)11-5-4-10-6-7-14(3)13(15)12(10)8-11/h4-5,8H,1,6-7H2,2-3H3.
What are the key properties of 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 171522935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).