[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C14H18N2O2 — CID 107217199

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CC[C@@H](O)C1
InChIInChI=1S/C14H18N2O2/c17-10-6-8-16(9-10)14(18)12-3-1-5-13-11(12)4-2-7-15-13/h1,3,5,10,15,17H,2,4,6-9H2/t10-/m1/s1
InChIKeyVGAIZOAEFHRRKJ-SNVBAGLBSA-N
MW246.31 g/mol
LogP1.25
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 107217199) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID107217199
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CC[C@@H](O)C1
InChIInChI=1S/C14H18N2O2/c17-10-6-8-16(9-10)14(18)12-3-1-5-13-11(12)4-2-7-15-13/h1,3,5,10,15,17H,2,4,6-9H2/t10-/m1/s1
InChIKeyVGAIZOAEFHRRKJ-SNVBAGLBSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550
(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
(4-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850423
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 63978245
(2,6-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850768
1,3-dihydroisoindol-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850424
(1,1-dioxo-1,4-thiazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 104954785
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 103355979
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882
1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 62848480
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 107217199) is [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cccc2c1CCCN2)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is VGAIZOAEFHRRKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-10-6-8-16(9-10)14(18)12-3-1-5-13-11(12)4-2-7-15-13/h1,3,5,10,15,17H,2,4,6-9H2/t10-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 107217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).