2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline

C13H17N — CID 165368262

IUPAC2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)=CN1CCc2ccccc2C1
InChIInChI=1S/C13H17N/c1-11(2)9-14-8-7-12-5-3-4-6-13(12)10-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyOQUKWUIIFVILRG-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.97
Rot. Bonds1

About 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline

2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 165368262) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline
PubChem CID165368262
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)=CN1CCc2ccccc2C1
InChIInChI=1S/C13H17N/c1-11(2)9-14-8-7-12-5-3-4-6-13(12)10-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyOQUKWUIIFVILRG-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal
CID 54270364
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-en-1-one
CID 11264387
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
(Z)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylprop-2-enamide
CID 108820341
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoyl chloride
CID 39255650
(Z)-N-(3-acetylphenyl)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enamide
CID 108856783
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-enoic acid
CID 77076186
CID 88501626
CID 88501626
2-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 91067326

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline (CID 165368262) is 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline is CC(C)=CN1CCc2ccccc2C1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is OQUKWUIIFVILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11(2)9-14-8-7-12-5-3-4-6-13(12)10-14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline?
2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 187.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 165368262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).