5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one

C12H18N2O — CID 60944027

IUPAC5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)C2CC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-3-14-8-11(6-7-12(14)15)13-9(2)10-4-5-10/h6-10,13H,3-5H2,1-2H3
InChIKeyJSHBQIASIJPKLG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.08
Rot. Bonds4

About 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one

5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one (PubChem CID 60944027) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
PubChem CID60944027
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)C2CC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-3-14-8-11(6-7-12(14)15)13-9(2)10-4-5-10/h6-10,13H,3-5H2,1-2H3
InChIKeyJSHBQIASIJPKLG-UHFFFAOYSA-N
XLogP2.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one?
The IUPAC name of 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one (CID 60944027) is 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one.
What is the SMILES notation for 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one?
The canonical SMILES for 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one is CCn1cc(NC(C)C2CC2)ccc1=O.
What is the InChIKey of 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one?
The InChIKey is JSHBQIASIJPKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-8-11(6-7-12(14)15)13-9(2)10-4-5-10/h6-10,13H,3-5H2,1-2H3.
What are the key properties of 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one?
5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one is sourced from PubChem (CID 60944027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).