3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium

C9H13N2O2Y- — CID 59959842

IUPAC3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium
SMILESC[CH-]n1c(C)cc(OC)c(N)c1=O.[Y]
InChIInChI=1S/C9H13N2O2.Y/c1-4-11-6(2)5-7(13-3)8(10)9(11)12;/h4-5H,10H2,1-3H3;/q-1;
InChIKeyZDUJTOQEOOBVIJ-UHFFFAOYSA-N
MW270.12 g/mol
LogP0.77
Rot. Bonds2

About 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium

3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium (PubChem CID 59959842) has the molecular formula C9H13N2O2Y- and a molecular weight of 270.12 g/mol. Its IUPAC name is 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium.

Molecular Properties

Compound Name3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium
PubChem CID59959842
Molecular FormulaC9H13N2O2Y-
Molecular Weight270.12 g/mol
Exact Mass270.00
IUPAC Name3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium
SMILESC[CH-]n1c(C)cc(OC)c(N)c1=O.[Y]
InChIInChI=1S/C9H13N2O2.Y/c1-4-11-6(2)5-7(13-3)8(10)9(11)12;/h4-5H,10H2,1-3H3;/q-1;
InChIKeyZDUJTOQEOOBVIJ-UHFFFAOYSA-N
XLogP0.77
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium?
The IUPAC name of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium (CID 59959842) is 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium.
What is the SMILES notation for 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium?
The canonical SMILES for 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium is C[CH-]n1c(C)cc(OC)c(N)c1=O.[Y].
What is the InChIKey of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium?
The InChIKey is ZDUJTOQEOOBVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2.Y/c1-4-11-6(2)5-7(13-3)8(10)9(11)12;/h4-5H,10H2,1-3H3;/q-1;.
What are the key properties of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium?
3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium has a molecular weight of 270.12 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one;yttrium is sourced from PubChem (CID 59959842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).