3-(methylamino)-1-propan-2-ylpyridin-2-one

C9H14N2O — CID 21057219

IUPAC3-(methylamino)-1-propan-2-ylpyridin-2-one
SMILESCNc1cccn(C(C)C)c1=O
InChIInChI=1S/C9H14N2O/c1-7(2)11-6-4-5-8(10-3)9(11)12/h4-7,10H,1-3H3
InChIKeyHUVSWDHNVAGAME-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.47
Rot. Bonds2

About 3-(methylamino)-1-propan-2-ylpyridin-2-one

3-(methylamino)-1-propan-2-ylpyridin-2-one (PubChem CID 21057219) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(methylamino)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-propan-2-ylpyridin-2-one
PubChem CID21057219
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(methylamino)-1-propan-2-ylpyridin-2-one
SMILESCNc1cccn(C(C)C)c1=O
InChIInChI=1S/C9H14N2O/c1-7(2)11-6-4-5-8(10-3)9(11)12/h4-7,10H,1-3H3
InChIKeyHUVSWDHNVAGAME-UHFFFAOYSA-N
XLogP1.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(methylamino)-1-propan-2-ylpyridin-2-one (CID 21057219) is 3-(methylamino)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-propan-2-ylpyridin-2-one is CNc1cccn(C(C)C)c1=O.
What is the InChIKey of 3-(methylamino)-1-propan-2-ylpyridin-2-one?
The InChIKey is HUVSWDHNVAGAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)11-6-4-5-8(10-3)9(11)12/h4-7,10H,1-3H3.
What are the key properties of 3-(methylamino)-1-propan-2-ylpyridin-2-one?
3-(methylamino)-1-propan-2-ylpyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 21057219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).