1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one

C11H14N2O — CID 62995500

IUPAC1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
SMILESCc1ccc(CN2CCC(=O)C2)cn1
InChIInChI=1S/C11H14N2O/c1-9-2-3-10(6-12-9)7-13-5-4-11(14)8-13/h2-3,6H,4-5,7-8H2,1H3
InChIKeyUKYQAWGRLBYDHL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.16
Rot. Bonds2

About 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one

1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one (PubChem CID 62995500) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
PubChem CID62995500
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
SMILESCc1ccc(CN2CCC(=O)C2)cn1
InChIInChI=1S/C11H14N2O/c1-9-2-3-10(6-12-9)7-13-5-4-11(14)8-13/h2-3,6H,4-5,7-8H2,1H3
InChIKeyUKYQAWGRLBYDHL-UHFFFAOYSA-N
XLogP1.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one (CID 62995500) is 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one is Cc1ccc(CN2CCC(=O)C2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one?
The InChIKey is UKYQAWGRLBYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-2-3-10(6-12-9)7-13-5-4-11(14)8-13/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one?
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one is sourced from PubChem (CID 62995500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).