6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

C14H22N2O — CID 19012418

IUPAC6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CN2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O/c1-2-3-6-13-8-7-12(14(17)15-13)11-16-9-4-5-10-16/h7-8H,2-6,9-11H2,1H3,(H,15,17)
InChIKeyAZWFEIZHBRXEBM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.31
Rot. Bonds5

About 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 19012418) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID19012418
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CN2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O/c1-2-3-6-13-8-7-12(14(17)15-13)11-16-9-4-5-10-16/h7-8H,2-6,9-11H2,1H3,(H,15,17)
InChIKeyAZWFEIZHBRXEBM-UHFFFAOYSA-N
XLogP2.31
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (CID 19012418) is 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is CCCCc1ccc(CN2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is AZWFEIZHBRXEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-6-13-8-7-12(14(17)15-13)11-16-9-4-5-10-16/h7-8H,2-6,9-11H2,1H3,(H,15,17).
What are the key properties of 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19012418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).