1-quinolin-8-ylpyrrolidin-2-one

C13H12N2O — CID 3061465

IUPAC1-quinolin-8-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1cccc2cccnc12
InChIInChI=1S/C13H12N2O/c16-12-7-3-9-15(12)11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2
InChIKeyMVGXWXNDLBXHMO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.36
Rot. Bonds1

About 1-quinolin-8-ylpyrrolidin-2-one

1-quinolin-8-ylpyrrolidin-2-one (PubChem CID 3061465) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-quinolin-8-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-quinolin-8-ylpyrrolidin-2-one
PubChem CID3061465
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-quinolin-8-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1cccc2cccnc12
InChIInChI=1S/C13H12N2O/c16-12-7-3-9-15(12)11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2
InChIKeyMVGXWXNDLBXHMO-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-8-ylpyrrolidin-2-one?
The IUPAC name of 1-quinolin-8-ylpyrrolidin-2-one (CID 3061465) is 1-quinolin-8-ylpyrrolidin-2-one.
What is the SMILES notation for 1-quinolin-8-ylpyrrolidin-2-one?
The canonical SMILES for 1-quinolin-8-ylpyrrolidin-2-one is O=C1CCCN1c1cccc2cccnc12.
What is the InChIKey of 1-quinolin-8-ylpyrrolidin-2-one?
The InChIKey is MVGXWXNDLBXHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-12-7-3-9-15(12)11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2.
What are the key properties of 1-quinolin-8-ylpyrrolidin-2-one?
1-quinolin-8-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-8-ylpyrrolidin-2-one is sourced from PubChem (CID 3061465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).