1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C19H26N2O2 — CID 72938247

IUPAC1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESC[C@@H]1CN(C(=O)CN2CCc3ccccc3C2)C[C@@]1(O)C1CC1
InChIInChI=1S/C19H26N2O2/c1-14-10-21(13-19(14,23)17-6-7-17)18(22)12-20-9-8-15-4-2-3-5-16(15)11-20/h2-5,14,17,23H,6-13H2,1H3/t14-,19+/m1/s1
InChIKeyHJXFGNGWGLKGGX-KUHUBIRLSA-N
MW314.43 g/mol
LogP1.66
Rot. Bonds3

About 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 72938247) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID72938247
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESC[C@@H]1CN(C(=O)CN2CCc3ccccc3C2)C[C@@]1(O)C1CC1
InChIInChI=1S/C19H26N2O2/c1-14-10-21(13-19(14,23)17-6-7-17)18(22)12-20-9-8-15-4-2-3-5-16(15)11-20/h2-5,14,17,23H,6-13H2,1H3/t14-,19+/m1/s1
InChIKeyHJXFGNGWGLKGGX-KUHUBIRLSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 72938247) is 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is C[C@@H]1CN(C(=O)CN2CCc3ccccc3C2)C[C@@]1(O)C1CC1.
What is the InChIKey of 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is HJXFGNGWGLKGGX-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-10-21(13-19(14,23)17-6-7-17)18(22)12-20-9-8-15-4-2-3-5-16(15)11-20/h2-5,14,17,23H,6-13H2,1H3/t14-,19+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 314.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 72938247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).