1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol

C12H13NO — CID 91091154

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C12H13NO/c1-2-12(14)10-4-3-9-5-6-13-8-11(9)7-10/h1,3-4,7,12-14H,5-6,8H2
InChIKeyPRBKZCJXGFZIMP-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.00
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol

1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol (PubChem CID 91091154) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
PubChem CID91091154
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C12H13NO/c1-2-12(14)10-4-3-9-5-6-13-8-11(9)7-10/h1,3-4,7,12-14H,5-6,8H2
InChIKeyPRBKZCJXGFZIMP-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol
CID 58629591
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
CID 135337281
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
1,3-bis(3,3-difluoroazetidin-1-yl)-1,3-bis(1,2,3,4-tetrahydroisoquinolin-7-yl)propan-2-one
CID 169082492
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 170791399
1,2,3,4-tetrahydroisoquinoline-7-thiol;hydrochloride
CID 23336523
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
7-prop-1-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 70295509
3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
CID 174827553
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
7-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 10154309
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol (CID 91091154) is 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol is C#CC(O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol?
The InChIKey is PRBKZCJXGFZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-12(14)10-4-3-9-5-6-13-8-11(9)7-10/h1,3-4,7,12-14H,5-6,8H2.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol?
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol has a molecular weight of 187.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol is sourced from PubChem (CID 91091154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).