2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium

C12H16NY- — CID 158321972

IUPAC2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium
SMILESCC.Cc1[c-]c2c(nc1C)=CCC=2.[Y]
InChIInChI=1S/C10H10N.C2H6.Y/c1-7-6-9-4-3-5-10(9)11-8(7)2;1-2;/h4-5H,3H2,1-2H3;1-2H3;/q-1;;
InChIKeyNHKYHWJDUJCVDC-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.49
Rot. Bonds

About 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium

2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium (PubChem CID 158321972) has the molecular formula C12H16NY- and a molecular weight of 263.17 g/mol. Its IUPAC name is 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium.

Molecular Properties

Compound Name2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium
PubChem CID158321972
Molecular FormulaC12H16NY-
Molecular Weight263.17 g/mol
Exact Mass263.03
IUPAC Name2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium
SMILESCC.Cc1[c-]c2c(nc1C)=CCC=2.[Y]
InChIInChI=1S/C10H10N.C2H6.Y/c1-7-6-9-4-3-5-10(9)11-8(7)2;1-2;/h4-5H,3H2,1-2H3;1-2H3;/q-1;;
InChIKeyNHKYHWJDUJCVDC-UHFFFAOYSA-N
XLogP1.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium?
The IUPAC name of 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium (CID 158321972) is 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium.
What is the SMILES notation for 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium?
The canonical SMILES for 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium is CC.Cc1[c-]c2c(nc1C)=CCC=2.[Y].
What is the InChIKey of 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium?
The InChIKey is NHKYHWJDUJCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N.C2H6.Y/c1-7-6-9-4-3-5-10(9)11-8(7)2;1-2;/h4-5H,3H2,1-2H3;1-2H3;/q-1;;.
What are the key properties of 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium?
2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium has a molecular weight of 263.17 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;ethane;yttrium is sourced from PubChem (CID 158321972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).