4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium

C11H12N3O2Y- — CID 177234959

IUPAC4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
SMILESCCc1[c-]cn(Cc2nnc(C)o2)c(=O)c1.[Y]
InChIInChI=1S/C11H12N3O2.Y/c1-3-9-4-5-14(11(15)6-9)7-10-13-12-8(2)16-10;/h5-6H,3,7H2,1-2H3;/q-1;
InChIKeyGVBVYHCGRYVMTQ-UHFFFAOYSA-N
MW307.14 g/mol
LogP0.95
Rot. Bonds3

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

4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium (PubChem CID 177234959) has the molecular formula C11H12N3O2Y- and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
PubChem CID177234959
Molecular FormulaC11H12N3O2Y-
Molecular Weight307.14 g/mol
Exact Mass307.00
IUPAC Name4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
SMILESCCc1[c-]cn(Cc2nnc(C)o2)c(=O)c1.[Y]
InChIInChI=1S/C11H12N3O2.Y/c1-3-9-4-5-14(11(15)6-9)7-10-13-12-8(2)16-10;/h5-6H,3,7H2,1-2H3;/q-1;
InChIKeyGVBVYHCGRYVMTQ-UHFFFAOYSA-N
XLogP0.95
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium (CID 177234959) is 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium is CCc1[c-]cn(Cc2nnc(C)o2)c(=O)c1.[Y].
What is the InChIKey of 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is GVBVYHCGRYVMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O2.Y/c1-3-9-4-5-14(11(15)6-9)7-10-13-12-8(2)16-10;/h5-6H,3,7H2,1-2H3;/q-1;.
What are the key properties of 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium?
4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 307.14 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 177234959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).