[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

C15H20N2O2 — CID 107217931

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESO=C(C1NCCc2ccccc21)N1CCC[C@@H]1CO
InChIInChI=1S/C15H20N2O2/c18-10-12-5-3-9-17(12)15(19)14-13-6-2-1-4-11(13)7-8-16-14/h1-2,4,6,12,14,16,18H,3,5,7-10H2/t12-,14?/m1/s1
InChIKeyLYNSTEUAJOBXNH-PUODRLBUSA-N
MW260.34 g/mol
LogP0.86
Rot. Bonds2

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (PubChem CID 107217931) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
PubChem CID107217931
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESO=C(C1NCCc2ccccc21)N1CCC[C@@H]1CO
InChIInChI=1S/C15H20N2O2/c18-10-12-5-3-9-17(12)15(19)14-13-6-2-1-4-11(13)7-8-16-14/h1-2,4,6,12,14,16,18H,3,5,7-10H2/t12-,14?/m1/s1
InChIKeyLYNSTEUAJOBXNH-PUODRLBUSA-N
XLogP0.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (CID 107217931) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is O=C(C1NCCc2ccccc21)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The InChIKey is LYNSTEUAJOBXNH-PUODRLBUSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-12-5-3-9-17(12)15(19)14-13-6-2-1-4-11(13)7-8-16-14/h1-2,4,6,12,14,16,18H,3,5,7-10H2/t12-,14?/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 107217931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).