1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one

C11H16N2O2 — CID 82143807

IUPAC1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one
SMILESC=CCOc1cccn(C(C)CN)c1=O
InChIInChI=1S/C11H16N2O2/c1-3-7-15-10-5-4-6-13(11(10)14)9(2)8-12/h3-6,9H,1,7-8,12H2,2H3
InChIKeyZEHTUFAZFZCRLO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.93
Rot. Bonds5

About 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one

1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one (PubChem CID 82143807) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one
PubChem CID82143807
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one
SMILESC=CCOc1cccn(C(C)CN)c1=O
InChIInChI=1S/C11H16N2O2/c1-3-7-15-10-5-4-6-13(11(10)14)9(2)8-12/h3-6,9H,1,7-8,12H2,2H3
InChIKeyZEHTUFAZFZCRLO-UHFFFAOYSA-N
XLogP0.93
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one (CID 82143807) is 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one is C=CCOc1cccn(C(C)CN)c1=O.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one?
The InChIKey is ZEHTUFAZFZCRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-7-15-10-5-4-6-13(11(10)14)9(2)8-12/h3-6,9H,1,7-8,12H2,2H3.
What are the key properties of 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one?
1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-prop-2-enoxypyridin-2-one is sourced from PubChem (CID 82143807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).