(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone

C15H20N2O2 — CID 23128327

IUPAC(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2c(c1)CCNC2C(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2/c1-19-12-4-5-13-11(10-12)6-7-16-14(13)15(18)17-8-2-3-9-17/h4-5,10,14,16H,2-3,6-9H2,1H3
InChIKeyUYIHIWFRJHUNJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.50
Rot. Bonds2

About (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone

(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 23128327) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID23128327
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2c(c1)CCNC2C(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2/c1-19-12-4-5-13-11(10-12)6-7-16-14(13)15(18)17-8-2-3-9-17/h4-5,10,14,16H,2-3,6-9H2,1H3
InChIKeyUYIHIWFRJHUNJX-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone (CID 23128327) is (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone is COc1ccc2c(c1)CCNC2C(=O)N1CCCC1.
What is the InChIKey of (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is UYIHIWFRJHUNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-12-4-5-13-11(10-12)6-7-16-14(13)15(18)17-8-2-3-9-17/h4-5,10,14,16H,2-3,6-9H2,1H3.
What are the key properties of (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone?
(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 23128327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).