2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium

C15H18NOY- — CID 177234862

IUPAC2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
SMILESCOC1=C(c2c[c-]c(C)cn2)C(C)CC(C)=C1.[Y]
InChIInChI=1S/C15H18NO.Y/c1-10-5-6-13(16-9-10)15-12(3)7-11(2)8-14(15)17-4;/h6,8-9,12H,7H2,1-4H3;/q-1;
InChIKeyKVMACKZRVYPBIZ-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium

2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium (PubChem CID 177234862) has the molecular formula C15H18NOY- and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
PubChem CID177234862
Molecular FormulaC15H18NOY-
Molecular Weight317.22 g/mol
Exact Mass317.05
IUPAC Name2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
SMILESCOC1=C(c2c[c-]c(C)cn2)C(C)CC(C)=C1.[Y]
InChIInChI=1S/C15H18NO.Y/c1-10-5-6-13(16-9-10)15-12(3)7-11(2)8-14(15)17-4;/h6,8-9,12H,7H2,1-4H3;/q-1;
InChIKeyKVMACKZRVYPBIZ-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
The IUPAC name of 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium (CID 177234862) is 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium is COC1=C(c2c[c-]c(C)cn2)C(C)CC(C)=C1.[Y].
What is the InChIKey of 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
The InChIKey is KVMACKZRVYPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO.Y/c1-10-5-6-13(16-9-10)15-12(3)7-11(2)8-14(15)17-4;/h6,8-9,12H,7H2,1-4H3;/q-1;.
What are the key properties of 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium has a molecular weight of 317.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 177234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).