5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one

C11H17N3O — CID 82507352

IUPAC5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one
SMILESCN1CCC(n2cc(CN)ccc2=O)C1
InChIInChI=1S/C11H17N3O/c1-13-5-4-10(8-13)14-7-9(6-12)2-3-11(14)15/h2-3,7,10H,4-6,8,12H2,1H3
InChIKeyZUYAUDBBFBETKM-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.18
Rot. Bonds2

About 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one

5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one (PubChem CID 82507352) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one
PubChem CID82507352
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one
SMILESCN1CCC(n2cc(CN)ccc2=O)C1
InChIInChI=1S/C11H17N3O/c1-13-5-4-10(8-13)14-7-9(6-12)2-3-11(14)15/h2-3,7,10H,4-6,8,12H2,1H3
InChIKeyZUYAUDBBFBETKM-UHFFFAOYSA-N
XLogP0.18
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one (CID 82507352) is 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one is CN1CCC(n2cc(CN)ccc2=O)C1.
What is the InChIKey of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one?
The InChIKey is ZUYAUDBBFBETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-5-4-10(8-13)14-7-9(6-12)2-3-11(14)15/h2-3,7,10H,4-6,8,12H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one?
5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one is sourced from PubChem (CID 82507352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).