6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

C15H21N3O2 — CID 131638228

IUPAC6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1
InChIInChI=1S/C15H21N3O2/c16-12-4-5-13-11(10-12)3-6-15(20)18(13)9-8-17-7-1-2-14(17)19/h3,6,12H,1-2,4-5,7-10,16H2
InChIKeyQAFRUIPUPZTZEQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.29
Rot. Bonds3

About 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 131638228) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID131638228
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1
InChIInChI=1S/C15H21N3O2/c16-12-4-5-13-11(10-12)3-6-15(20)18(13)9-8-17-7-1-2-14(17)19/h3,6,12H,1-2,4-5,7-10,16H2
InChIKeyQAFRUIPUPZTZEQ-UHFFFAOYSA-N
XLogP0.29
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
CID 155836671
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108922
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one
CID 43259775
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one
CID 83820754
1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 154896608
2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
CID 88849448

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 131638228) is 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is NC1CCc2c(ccc(=O)n2CCN2CCCC2=O)C1.
What is the InChIKey of 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is QAFRUIPUPZTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12-4-5-13-11(10-12)3-6-15(20)18(13)9-8-17-7-1-2-14(17)19/h3,6,12H,1-2,4-5,7-10,16H2.
What are the key properties of 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 131638228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).