3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium

C13H14NOY- — CID 58772907

IUPAC3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium
SMILESO=[C-]C1NC2CC=CC=C2C2C=CCC12.[Y]
InChIInChI=1S/C13H14NO.Y/c15-8-13-11-6-3-5-9(11)10-4-1-2-7-12(10)14-13;/h1-5,9,11-14H,6-7H2;/q-1;
InChIKeyAXAJEHNBRIFUGQ-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.51
Rot. Bonds1

About 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium

3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium (PubChem CID 58772907) has the molecular formula C13H14NOY- and a molecular weight of 289.17 g/mol. Its IUPAC name is 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium.

Molecular Properties

Compound Name3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium
PubChem CID58772907
Molecular FormulaC13H14NOY-
Molecular Weight289.17 g/mol
Exact Mass289.01
IUPAC Name3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium
SMILESO=[C-]C1NC2CC=CC=C2C2C=CCC12.[Y]
InChIInChI=1S/C13H14NO.Y/c15-8-13-11-6-3-5-9(11)10-4-1-2-7-12(10)14-13;/h1-5,9,11-14H,6-7H2;/q-1;
InChIKeyAXAJEHNBRIFUGQ-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium?
The IUPAC name of 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium (CID 58772907) is 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium.
What is the SMILES notation for 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium?
The canonical SMILES for 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium is O=[C-]C1NC2CC=CC=C2C2C=CCC12.[Y].
What is the InChIKey of 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium?
The InChIKey is AXAJEHNBRIFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO.Y/c15-8-13-11-6-3-5-9(11)10-4-1-2-7-12(10)14-13;/h1-5,9,11-14H,6-7H2;/q-1;.
What are the key properties of 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium?
3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium has a molecular weight of 289.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium is sourced from PubChem (CID 58772907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).