3-(diethylaminomethyl)-1H-pyridin-2-one

C10H16N2O — CID 70030271

IUPAC3-(diethylaminomethyl)-1H-pyridin-2-one
SMILESCCN(CC)Cc1ccc[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-3-12(4-2)8-9-6-5-7-11-10(9)13/h5-7H,3-4,8H2,1-2H3,(H,11,13)
InChIKeyNOGLKDZNMQWXCU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.22
Rot. Bonds4

About 3-(diethylaminomethyl)-1H-pyridin-2-one

3-(diethylaminomethyl)-1H-pyridin-2-one (PubChem CID 70030271) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-1H-pyridin-2-one
PubChem CID70030271
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(diethylaminomethyl)-1H-pyridin-2-one
SMILESCCN(CC)Cc1ccc[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-3-12(4-2)8-9-6-5-7-11-10(9)13/h5-7H,3-4,8H2,1-2H3,(H,11,13)
InChIKeyNOGLKDZNMQWXCU-UHFFFAOYSA-N
XLogP1.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(diethylaminomethyl)-1H-pyridin-2-one (CID 70030271) is 3-(diethylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(diethylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(diethylaminomethyl)-1H-pyridin-2-one is CCN(CC)Cc1ccc[nH]c1=O.
What is the InChIKey of 3-(diethylaminomethyl)-1H-pyridin-2-one?
The InChIKey is NOGLKDZNMQWXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-12(4-2)8-9-6-5-7-11-10(9)13/h5-7H,3-4,8H2,1-2H3,(H,11,13).
What are the key properties of 3-(diethylaminomethyl)-1H-pyridin-2-one?
3-(diethylaminomethyl)-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70030271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).