1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium

C16H18NO3Y- — CID 148790144

IUPAC1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCCn1c(-c2ccc(OCOC)cc2)[c-]cc(C)c1=O.[Y]
InChIInChI=1S/C16H18NO3.Y/c1-4-17-15(10-5-12(2)16(17)18)13-6-8-14(9-7-13)20-11-19-3;/h5-9H,4,11H2,1-3H3;/q-1;
InChIKeyALOACUVUVUDIPZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.62
Rot. Bonds5

About 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium

1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 148790144) has the molecular formula C16H18NO3Y- and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID148790144
Molecular FormulaC16H18NO3Y-
Molecular Weight361.23 g/mol
Exact Mass361.04
IUPAC Name1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCCn1c(-c2ccc(OCOC)cc2)[c-]cc(C)c1=O.[Y]
InChIInChI=1S/C16H18NO3.Y/c1-4-17-15(10-5-12(2)16(17)18)13-6-8-14(9-7-13)20-11-19-3;/h5-9H,4,11H2,1-3H3;/q-1;
InChIKeyALOACUVUVUDIPZ-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium (CID 148790144) is 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium is CCn1c(-c2ccc(OCOC)cc2)[c-]cc(C)c1=O.[Y].
What is the InChIKey of 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is ALOACUVUVUDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO3.Y/c1-4-17-15(10-5-12(2)16(17)18)13-6-8-14(9-7-13)20-11-19-3;/h5-9H,4,11H2,1-3H3;/q-1;.
What are the key properties of 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium?
1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 361.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 148790144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).