[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone

C15H21N3O — CID 68590313

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
SMILESCN1CCc2cc(C(=O)N3CC[C@@H](N)C3)ccc2C1
InChIInChI=1S/C15H21N3O/c1-17-6-4-11-8-12(2-3-13(11)9-17)15(19)18-7-5-14(16)10-18/h2-3,8,14H,4-7,9-10,16H2,1H3/t14-/m1/s1
InChIKeyPYHZTDVOLLMLLH-CQSZACIVSA-N
MW259.35 g/mol
LogP0.85
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone (PubChem CID 68590313) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
PubChem CID68590313
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
SMILESCN1CCc2cc(C(=O)N3CC[C@@H](N)C3)ccc2C1
InChIInChI=1S/C15H21N3O/c1-17-6-4-11-8-12(2-3-13(11)9-17)15(19)18-7-5-14(16)10-18/h2-3,8,14H,4-7,9-10,16H2,1H3/t14-/m1/s1
InChIKeyPYHZTDVOLLMLLH-CQSZACIVSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 119538624
1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 84613952
(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530856
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone (CID 68590313) is [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone is CN1CCc2cc(C(=O)N3CC[C@@H](N)C3)ccc2C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone?
The InChIKey is PYHZTDVOLLMLLH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-6-4-11-8-12(2-3-13(11)9-17)15(19)18-7-5-14(16)10-18/h2-3,8,14H,4-7,9-10,16H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone is sourced from PubChem (CID 68590313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).