5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one

C17H18N2O2 — CID 103348679

IUPAC5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
SMILESCOc1cccc(C2CC(=O)NC2Cc2ccccc2)n1
InChIInChI=1S/C17H18N2O2/c1-21-17-9-5-8-14(19-17)13-11-16(20)18-15(13)10-12-6-3-2-4-7-12/h2-9,13,15H,10-11H2,1H3,(H,18,20)
InChIKeyJUISIDICNAYHHD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.31
Rot. Bonds4

About 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one

5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one (PubChem CID 103348679) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
PubChem CID103348679
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
SMILESCOc1cccc(C2CC(=O)NC2Cc2ccccc2)n1
InChIInChI=1S/C17H18N2O2/c1-21-17-9-5-8-14(19-17)13-11-16(20)18-15(13)10-12-6-3-2-4-7-12/h2-9,13,15H,10-11H2,1H3,(H,18,20)
InChIKeyJUISIDICNAYHHD-UHFFFAOYSA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 103348678
5-benzyl-4-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 66105255
5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 114554593
5-benzyl-4-thiophen-2-ylpyrrolidin-2-one
CID 66104822
5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one
CID 66129465
5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one
CID 66102590
N-[[2-(6-methoxy-2-pyridinyl)cyclopropyl]methyl]cyclopropanamine
CID 103348488
(5R)-5-benzylpyrrolidin-2-one
CID 740530
(5R)-4-benzyl-5-methylpyrrolidin-2-one
CID 154981425
4-(6-methoxy-2-pyridinyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171914935
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
2-(6-methoxy-2-pyridinyl)-2,3-dihydropyran-4-one
CID 103348635

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one (CID 103348679) is 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one is COc1cccc(C2CC(=O)NC2Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is JUISIDICNAYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-17-9-5-8-14(19-17)13-11-16(20)18-15(13)10-12-6-3-2-4-7-12/h2-9,13,15H,10-11H2,1H3,(H,18,20).
What are the key properties of 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one?
5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 103348679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).