1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline

C12H15N — CID 79177948

IUPAC1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESC=C(C)C1NCCc2ccccc21
InChIInChI=1S/C12H15N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,12-13H,1,7-8H2,2H3
InChIKeyQWTAMOAQWJEQBP-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.45
Rot. Bonds1

About 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline

1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 79177948) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID79177948
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESC=C(C)C1NCCc2ccccc21
InChIInChI=1S/C12H15N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,12-13H,1,7-8H2,2H3
InChIKeyQWTAMOAQWJEQBP-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 113498609
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562030
(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
(4-methoxyphenyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 141338899
3-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one
CID 116562104
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561998
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107734433

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 79177948) is 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline is C=C(C)C1NCCc2ccccc21.
What is the InChIKey of 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QWTAMOAQWJEQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,12-13H,1,7-8H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline?
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 173.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 79177948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).