1-quinolin-6-ylpyrrolidin-2-one

C13H12N2O — CID 118731128

IUPAC1-quinolin-6-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2ncccc2c1
InChIInChI=1S/C13H12N2O/c16-13-4-2-8-15(13)11-5-6-12-10(9-11)3-1-7-14-12/h1,3,5-7,9H,2,4,8H2
InChIKeyINZNGSLEFKEOJL-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.36
Rot. Bonds1

About 1-quinolin-6-ylpyrrolidin-2-one

1-quinolin-6-ylpyrrolidin-2-one (PubChem CID 118731128) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-quinolin-6-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-quinolin-6-ylpyrrolidin-2-one
PubChem CID118731128
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-quinolin-6-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2ncccc2c1
InChIInChI=1S/C13H12N2O/c16-13-4-2-8-15(13)11-5-6-12-10(9-11)3-1-7-14-12/h1,3,5-7,9H,2,4,8H2
InChIKeyINZNGSLEFKEOJL-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-ylpyrrolidin-2-one?
The IUPAC name of 1-quinolin-6-ylpyrrolidin-2-one (CID 118731128) is 1-quinolin-6-ylpyrrolidin-2-one.
What is the SMILES notation for 1-quinolin-6-ylpyrrolidin-2-one?
The canonical SMILES for 1-quinolin-6-ylpyrrolidin-2-one is O=C1CCCN1c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-ylpyrrolidin-2-one?
The InChIKey is INZNGSLEFKEOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-4-2-8-15(13)11-5-6-12-10(9-11)3-1-7-14-12/h1,3,5-7,9H,2,4,8H2.
What are the key properties of 1-quinolin-6-ylpyrrolidin-2-one?
1-quinolin-6-ylpyrrolidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-ylpyrrolidin-2-one is sourced from PubChem (CID 118731128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).