1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol

C13H18N2O — CID 83359300

IUPAC1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(C1CCCN1)NCC2
InChIInChI=1S/C13H18N2O/c16-10-4-3-9-5-7-15-13(11(9)8-10)12-2-1-6-14-12/h3-4,8,12-16H,1-2,5-7H2
InChIKeyMYLFZBJVUQXDSK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.33
Rot. Bonds1

About 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol

1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 83359300) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID83359300
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(C1CCCN1)NCC2
InChIInChI=1S/C13H18N2O/c16-10-4-3-9-5-7-15-13(11(9)8-10)12-2-1-6-14-12/h3-4,8,12-16H,1-2,5-7H2
InChIKeyMYLFZBJVUQXDSK-UHFFFAOYSA-N
XLogP1.33
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 83359300) is 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1ccc2c(c1)C(C1CCCN1)NCC2.
What is the InChIKey of 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is MYLFZBJVUQXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-10-4-3-9-5-7-15-13(11(9)8-10)12-2-1-6-14-12/h3-4,8,12-16H,1-2,5-7H2.
What are the key properties of 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 218.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 83359300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).