1-(4-aminopyrrolidin-3-yl)pyridin-2-one

C9H13N3O — CID 66692994

IUPAC1-(4-aminopyrrolidin-3-yl)pyridin-2-one
SMILESNC1CNCC1n1ccccc1=O
InChIInChI=1S/C9H13N3O/c10-7-5-11-6-8(7)12-4-2-1-3-9(12)13/h1-4,7-8,11H,5-6,10H2
InChIKeyDCYGNPNOEHTCKZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.68
Rot. Bonds1

About 1-(4-aminopyrrolidin-3-yl)pyridin-2-one

1-(4-aminopyrrolidin-3-yl)pyridin-2-one (PubChem CID 66692994) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-aminopyrrolidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-aminopyrrolidin-3-yl)pyridin-2-one
PubChem CID66692994
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(4-aminopyrrolidin-3-yl)pyridin-2-one
SMILESNC1CNCC1n1ccccc1=O
InChIInChI=1S/C9H13N3O/c10-7-5-11-6-8(7)12-4-2-1-3-9(12)13/h1-4,7-8,11H,5-6,10H2
InChIKeyDCYGNPNOEHTCKZ-UHFFFAOYSA-N
XLogP-0.68
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrrolidin-3-yl)pyridin-2-one?
The IUPAC name of 1-(4-aminopyrrolidin-3-yl)pyridin-2-one (CID 66692994) is 1-(4-aminopyrrolidin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-(4-aminopyrrolidin-3-yl)pyridin-2-one?
The canonical SMILES for 1-(4-aminopyrrolidin-3-yl)pyridin-2-one is NC1CNCC1n1ccccc1=O.
What is the InChIKey of 1-(4-aminopyrrolidin-3-yl)pyridin-2-one?
The InChIKey is DCYGNPNOEHTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-5-11-6-8(7)12-4-2-1-3-9(12)13/h1-4,7-8,11H,5-6,10H2.
What are the key properties of 1-(4-aminopyrrolidin-3-yl)pyridin-2-one?
1-(4-aminopyrrolidin-3-yl)pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrrolidin-3-yl)pyridin-2-one is sourced from PubChem (CID 66692994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).