5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C18H22N2O2 — CID 71543196

IUPAC5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-15-4-9-18(21)20(14-15)16-5-7-17(8-6-16)22-13-12-19-10-2-3-11-19/h4-9,14H,2-3,10-13H2,1H3
InChIKeyLPRHUSLQCRNFJY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds5

About 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 71543196) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID71543196
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-15-4-9-18(21)20(14-15)16-5-7-17(8-6-16)22-13-12-19-10-2-3-11-19/h4-9,14H,2-3,10-13H2,1H3
InChIKeyLPRHUSLQCRNFJY-UHFFFAOYSA-N
XLogP2.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 71543196) is 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is Cc1ccc(=O)n(-c2ccc(OCCN3CCCC3)cc2)c1.
What is the InChIKey of 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is LPRHUSLQCRNFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-4-9-18(21)20(14-15)16-5-7-17(8-6-16)22-13-12-19-10-2-3-11-19/h4-9,14H,2-3,10-13H2,1H3.
What are the key properties of 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 71543196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).