3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one

C12H20N2O — CID 146182804

IUPAC3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(c1cccn(C(C)C)c1=O)N(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-6-7-11(12(14)15)10(3)13(4)5/h6-10H,1-5H3
InChIKeyBJKURPGNJBFNMK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.05
Rot. Bonds3

About 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one

3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182804) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182804
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(c1cccn(C(C)C)c1=O)N(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-6-7-11(12(14)15)10(3)13(4)5/h6-10H,1-5H3
InChIKeyBJKURPGNJBFNMK-UHFFFAOYSA-N
XLogP2.05
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one (CID 146182804) is 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one is CC(c1cccn(C(C)C)c1=O)N(C)C.
What is the InChIKey of 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is BJKURPGNJBFNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-8-6-7-11(12(14)15)10(3)13(4)5/h6-10H,1-5H3.
What are the key properties of 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one?
3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).