pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C14H18N2O — CID 116568328

IUPACpyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(C1CCNC1)C1CCCc2cccnc21
InChIInChI=1S/C14H18N2O/c17-14(11-6-8-15-9-11)12-5-1-3-10-4-2-7-16-13(10)12/h2,4,7,11-12,15H,1,3,5-6,8-9H2
InChIKeyGSZYDRRTOLHQIU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.68
Rot. Bonds2

About pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone

pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 116568328) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID116568328
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Namepyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(C1CCNC1)C1CCCc2cccnc21
InChIInChI=1S/C14H18N2O/c17-14(11-6-8-15-9-11)12-5-1-3-10-4-2-7-16-13(10)12/h2,4,7,11-12,15H,1,3,5-6,8-9H2
InChIKeyGSZYDRRTOLHQIU-UHFFFAOYSA-N
XLogP1.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
(5-methyloxolan-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782292
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 116568328) is pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone is O=C(C1CCNC1)C1CCCc2cccnc21.
What is the InChIKey of pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is GSZYDRRTOLHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(11-6-8-15-9-11)12-5-1-3-10-4-2-7-16-13(10)12/h2,4,7,11-12,15H,1,3,5-6,8-9H2.
What are the key properties of pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 116568328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).