3-(ethylaminomethyl)-1H-pyridin-4-one

C8H12N2O — CID 103863080

IUPAC3-(ethylaminomethyl)-1H-pyridin-4-one
SMILESCCNCc1c[nH]ccc1=O
InChIInChI=1S/C8H12N2O/c1-2-9-5-7-6-10-4-3-8(7)11/h3-4,6,9H,2,5H2,1H3,(H,10,11)
InChIKeySZWBZPJCSLAVHG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.48
Rot. Bonds3

About 3-(ethylaminomethyl)-1H-pyridin-4-one

3-(ethylaminomethyl)-1H-pyridin-4-one (PubChem CID 103863080) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1H-pyridin-4-one
PubChem CID103863080
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(ethylaminomethyl)-1H-pyridin-4-one
SMILESCCNCc1c[nH]ccc1=O
InChIInChI=1S/C8H12N2O/c1-2-9-5-7-6-10-4-3-8(7)11/h3-4,6,9H,2,5H2,1H3,(H,10,11)
InChIKeySZWBZPJCSLAVHG-UHFFFAOYSA-N
XLogP0.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(ethylaminomethyl)-1H-pyridin-4-one (CID 103863080) is 3-(ethylaminomethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(ethylaminomethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(ethylaminomethyl)-1H-pyridin-4-one is CCNCc1c[nH]ccc1=O.
What is the InChIKey of 3-(ethylaminomethyl)-1H-pyridin-4-one?
The InChIKey is SZWBZPJCSLAVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-9-5-7-6-10-4-3-8(7)11/h3-4,6,9H,2,5H2,1H3,(H,10,11).
What are the key properties of 3-(ethylaminomethyl)-1H-pyridin-4-one?
3-(ethylaminomethyl)-1H-pyridin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1H-pyridin-4-one is sourced from PubChem (CID 103863080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).