1-(3-aminopropyl)pyridin-2-one

C8H12N2O — CID 572935

IUPAC1-(3-aminopropyl)pyridin-2-one
SMILESNCCCn1ccccc1=O
InChIInChI=1S/C8H12N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-2,4,6H,3,5,7,9H2
InChIKeyFMSYLYHUWPAOIM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.20
Rot. Bonds3

About 1-(3-aminopropyl)pyridin-2-one

1-(3-aminopropyl)pyridin-2-one (PubChem CID 572935) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)pyridin-2-one
PubChem CID572935
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(3-aminopropyl)pyridin-2-one
SMILESNCCCn1ccccc1=O
InChIInChI=1S/C8H12N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-2,4,6H,3,5,7,9H2
InChIKeyFMSYLYHUWPAOIM-UHFFFAOYSA-N
XLogP0.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)pyridin-2-one (CID 572935) is 1-(3-aminopropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)pyridin-2-one is NCCCn1ccccc1=O.
What is the InChIKey of 1-(3-aminopropyl)pyridin-2-one?
The InChIKey is FMSYLYHUWPAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-2,4,6H,3,5,7,9H2.
What are the key properties of 1-(3-aminopropyl)pyridin-2-one?
1-(3-aminopropyl)pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyridin-2-one is sourced from PubChem (CID 572935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).