2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium

C10H12NY- — CID 59059995

IUPAC2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium
SMILESCC1=[C-]C2C=CCC2N=C1C.[Y]
InChIInChI=1S/C10H12N.Y/c1-7-6-9-4-3-5-10(9)11-8(7)2;/h3-4,9-10H,5H2,1-2H3;/q-1;
InChIKeyUFKZNGPNZLKUKQ-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.15
Rot. Bonds

About 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium

2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium (PubChem CID 59059995) has the molecular formula C10H12NY- and a molecular weight of 235.12 g/mol. Its IUPAC name is 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium
PubChem CID59059995
Molecular FormulaC10H12NY-
Molecular Weight235.12 g/mol
Exact Mass235.00
IUPAC Name2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium
SMILESCC1=[C-]C2C=CCC2N=C1C.[Y]
InChIInChI=1S/C10H12N.Y/c1-7-6-9-4-3-5-10(9)11-8(7)2;/h3-4,9-10H,5H2,1-2H3;/q-1;
InChIKeyUFKZNGPNZLKUKQ-UHFFFAOYSA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium?
The IUPAC name of 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium (CID 59059995) is 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium.
What is the SMILES notation for 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium?
The canonical SMILES for 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium is CC1=[C-]C2C=CCC2N=C1C.[Y].
What is the InChIKey of 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium?
The InChIKey is UFKZNGPNZLKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N.Y/c1-7-6-9-4-3-5-10(9)11-8(7)2;/h3-4,9-10H,5H2,1-2H3;/q-1;.
What are the key properties of 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium?
2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium has a molecular weight of 235.12 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,4a,7,7a-tetrahydrocyclopenta[b]pyridin-4-ide;yttrium is sourced from PubChem (CID 59059995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).