6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one

C13H20N2O — CID 19012426

IUPAC6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one
SMILESCCCCc1ccc(N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O/c1-2-3-6-11-7-8-12(13(16)14-11)15-9-4-5-10-15/h7-8H,2-6,9-10H2,1H3,(H,14,16)
InChIKeyJNLZDHIWWHETCE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds4

About 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one

6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one (PubChem CID 19012426) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one
PubChem CID19012426
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one
SMILESCCCCc1ccc(N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O/c1-2-3-6-11-7-8-12(13(16)14-11)15-9-4-5-10-15/h7-8H,2-6,9-10H2,1H3,(H,14,16)
InChIKeyJNLZDHIWWHETCE-UHFFFAOYSA-N
XLogP2.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
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-yl-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one (CID 19012426) is 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one is CCCCc1ccc(N2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one?
The InChIKey is JNLZDHIWWHETCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-6-11-7-8-12(13(16)14-11)15-9-4-5-10-15/h7-8H,2-6,9-10H2,1H3,(H,14,16).
What are the key properties of 6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one?
6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.32, 4 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-yl-1H-pyridin-2-one is sourced from PubChem (CID 19012426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).