3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one

C11H16N2O — CID 157041576

IUPAC3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C11H16N2O/c1-7(2)13-6-9(8-3-4-8)5-10(12)11(13)14/h5-8H,3-4,12H2,1-2H3
InChIKeyFKQSDWDLUSPEJW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.89
Rot. Bonds2

About 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one

3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one (PubChem CID 157041576) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one
PubChem CID157041576
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C11H16N2O/c1-7(2)13-6-9(8-3-4-8)5-10(12)11(13)14/h5-8H,3-4,12H2,1-2H3
InChIKeyFKQSDWDLUSPEJW-UHFFFAOYSA-N
XLogP1.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one (CID 157041576) is 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one is CC(C)n1cc(C2CC2)cc(N)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one?
The InChIKey is FKQSDWDLUSPEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)13-6-9(8-3-4-8)5-10(12)11(13)14/h5-8H,3-4,12H2,1-2H3.
What are the key properties of 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one?
3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 157041576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).