4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one

C11H16N2O — CID 105446426

IUPAC4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(C2(N)CC2)cc1=O
InChIInChI=1S/C11H16N2O/c1-8(2)13-6-3-9(7-10(13)14)11(12)4-5-11/h3,6-8H,4-5,12H2,1-2H3
InChIKeyPSHYNKWXCSAUSK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.38
Rot. Bonds2

About 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one

4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one (PubChem CID 105446426) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one
PubChem CID105446426
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(C2(N)CC2)cc1=O
InChIInChI=1S/C11H16N2O/c1-8(2)13-6-3-9(7-10(13)14)11(12)4-5-11/h3,6-8H,4-5,12H2,1-2H3
InChIKeyPSHYNKWXCSAUSK-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one (CID 105446426) is 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one is CC(C)n1ccc(C2(N)CC2)cc1=O.
What is the InChIKey of 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is PSHYNKWXCSAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)13-6-3-9(7-10(13)14)11(12)4-5-11/h3,6-8H,4-5,12H2,1-2H3.
What are the key properties of 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one?
4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 105446426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).