5-(quinolin-2-ylmethyl)pyrrolidin-2-one

C14H14N2O — CID 113441322

IUPAC5-(quinolin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(Cc2ccc3ccccc3n2)N1
InChIInChI=1S/C14H14N2O/c17-14-8-7-12(16-14)9-11-6-5-10-3-1-2-4-13(10)15-11/h1-6,12H,7-9H2,(H,16,17)
InChIKeyOYAQWFNTRAFYOD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.06
Rot. Bonds2

About 5-(quinolin-2-ylmethyl)pyrrolidin-2-one

5-(quinolin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 113441322) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(quinolin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(quinolin-2-ylmethyl)pyrrolidin-2-one
PubChem CID113441322
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-(quinolin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(Cc2ccc3ccccc3n2)N1
InChIInChI=1S/C14H14N2O/c17-14-8-7-12(16-14)9-11-6-5-10-3-1-2-4-13(10)15-11/h1-6,12H,7-9H2,(H,16,17)
InChIKeyOYAQWFNTRAFYOD-UHFFFAOYSA-N
XLogP2.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-(quinolin-2-ylmethyl)pyrrolidin-2-one (CID 113441322) is 5-(quinolin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(quinolin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(quinolin-2-ylmethyl)pyrrolidin-2-one is O=C1CCC(Cc2ccc3ccccc3n2)N1.
What is the InChIKey of 5-(quinolin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is OYAQWFNTRAFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-8-7-12(16-14)9-11-6-5-10-3-1-2-4-13(10)15-11/h1-6,12H,7-9H2,(H,16,17).
What are the key properties of 5-(quinolin-2-ylmethyl)pyrrolidin-2-one?
5-(quinolin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 113441322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).