1-ethyl-5-pyridin-3-ylpyrrolidin-2-one

C11H14N2O — CID 3485102

IUPAC1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCCN1C(=O)CCC1c1cccnc1
InChIInChI=1S/C11H14N2O/c1-2-13-10(5-6-11(13)14)9-4-3-7-12-8-9/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyQRIXADPHKWJYSA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.76
Rot. Bonds2

About 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one

1-ethyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 3485102) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID3485102
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCCN1C(=O)CCC1c1cccnc1
InChIInChI=1S/C11H14N2O/c1-2-13-10(5-6-11(13)14)9-4-3-7-12-8-9/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyQRIXADPHKWJYSA-UHFFFAOYSA-N
XLogP1.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one (CID 3485102) is 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one is CCN1C(=O)CCC1c1cccnc1.
What is the InChIKey of 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is QRIXADPHKWJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-13-10(5-6-11(13)14)9-4-3-7-12-8-9/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
1-ethyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 3485102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).