1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one

C11H15N3O — CID 62464540

IUPAC1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCNc1ncccc1CN1CCCC1=O
InChIInChI=1S/C11H15N3O/c1-12-11-9(4-2-6-13-11)8-14-7-3-5-10(14)15/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyMOCQAHNMUBMMRQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.25
Rot. Bonds3

About 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one

1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 62464540) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID62464540
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCNc1ncccc1CN1CCCC1=O
InChIInChI=1S/C11H15N3O/c1-12-11-9(4-2-6-13-11)8-14-7-3-5-10(14)15/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyMOCQAHNMUBMMRQ-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one (CID 62464540) is 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one is CNc1ncccc1CN1CCCC1=O.
What is the InChIKey of 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is MOCQAHNMUBMMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-12-11-9(4-2-6-13-11)8-14-7-3-5-10(14)15/h2,4,6H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 62464540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).