1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one

C15H20N2O — CID 81423337

IUPAC1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1cccc2c1NCCC2
InChIInChI=1S/C15H20N2O/c18-14-7-3-10-17(14)11-8-13-5-1-4-12-6-2-9-16-15(12)13/h1,4-5,16H,2-3,6-11H2
InChIKeyCULVMTBCRKUUOW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one

1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one (PubChem CID 81423337) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one
PubChem CID81423337
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1cccc2c1NCCC2
InChIInChI=1S/C15H20N2O/c18-14-7-3-10-17(14)11-8-13-5-1-4-12-6-2-9-16-15(12)13/h1,4-5,16H,2-3,6-11H2
InChIKeyCULVMTBCRKUUOW-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one (CID 81423337) is 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one is O=C1CCCN1CCc1cccc2c1NCCC2.
What is the InChIKey of 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one?
The InChIKey is CULVMTBCRKUUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14-7-3-10-17(14)11-8-13-5-1-4-12-6-2-9-16-15(12)13/h1,4-5,16H,2-3,6-11H2.
What are the key properties of 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one?
1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 81423337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).