1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one

C12H18N2O2 — CID 82144040

IUPAC1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
SMILESC=CCOc1cccn(CC(N)CC)c1=O
InChIInChI=1S/C12H18N2O2/c1-3-8-16-11-6-5-7-14(12(11)15)9-10(13)4-2/h3,5-7,10H,1,4,8-9,13H2,2H3
InChIKeySYTXSLCQZZGGES-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds6

About 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one

1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one (PubChem CID 82144040) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
PubChem CID82144040
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
SMILESC=CCOc1cccn(CC(N)CC)c1=O
InChIInChI=1S/C12H18N2O2/c1-3-8-16-11-6-5-7-14(12(11)15)9-10(13)4-2/h3,5-7,10H,1,4,8-9,13H2,2H3
InChIKeySYTXSLCQZZGGES-UHFFFAOYSA-N
XLogP1.15
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
CID 82144044
1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one
CID 82144038
1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one
CID 82150726
2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
CID 82143634
4-[(2-oxo-3-prop-2-enoxy-1-pyridinyl)methyl]benzonitrile
CID 82150658
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
2-(2-aminobutyl)isoquinolin-1-one
CID 79015270
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one?
The IUPAC name of 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one (CID 82144040) is 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one is C=CCOc1cccn(CC(N)CC)c1=O.
What is the InChIKey of 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one?
The InChIKey is SYTXSLCQZZGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-16-11-6-5-7-14(12(11)15)9-10(13)4-2/h3,5-7,10H,1,4,8-9,13H2,2H3.
What are the key properties of 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one?
1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one is sourced from PubChem (CID 82144040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).