[(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol

C17H24N2O — CID 141087607

IUPAC[(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc2c1C=C(CCN1CCC[C@@H]1CO)NC2
InChIInChI=1S/C17H24N2O/c1-13-4-2-5-14-11-18-15(10-17(13)14)7-9-19-8-3-6-16(19)12-20/h2,4-5,10,16,18,20H,3,6-9,11-12H2,1H3/t16-/m1/s1
InChIKeyPGIOMNLZJUQZCU-MRXNPFEDSA-N
MW272.39 g/mol
LogP2.29
Rot. Bonds4

About [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 141087607) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID141087607
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc2c1C=C(CCN1CCC[C@@H]1CO)NC2
InChIInChI=1S/C17H24N2O/c1-13-4-2-5-14-11-18-15(10-17(13)14)7-9-19-8-3-6-16(19)12-20/h2,4-5,10,16,18,20H,3,6-9,11-12H2,1H3/t16-/m1/s1
InChIKeyPGIOMNLZJUQZCU-MRXNPFEDSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol (CID 141087607) is [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol is Cc1cccc2c1C=C(CCN1CCC[C@@H]1CO)NC2.
What is the InChIKey of [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is PGIOMNLZJUQZCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-2-5-14-11-18-15(10-17(13)14)7-9-19-8-3-6-16(19)12-20/h2,4-5,10,16,18,20H,3,6-9,11-12H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 272.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(5-methyl-1,2-dihydroisoquinolin-3-yl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141087607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).