3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium

C11H18NY- — CID 59813155

IUPAC3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium
SMILES[CH2-]C(CC)=C1CC2CCC(C1)N2.[Y]
InChIInChI=1S/C11H18N.Y/c1-3-8(2)9-6-10-4-5-11(7-9)12-10;/h10-12H,2-7H2,1H3;/q-1;
InChIKeyQJOCQMLTDVEQSB-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.44
Rot. Bonds1

About 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium

3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium (PubChem CID 59813155) has the molecular formula C11H18NY- and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium.

Molecular Properties

Compound Name3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium
PubChem CID59813155
Molecular FormulaC11H18NY-
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium
SMILES[CH2-]C(CC)=C1CC2CCC(C1)N2.[Y]
InChIInChI=1S/C11H18N.Y/c1-3-8(2)9-6-10-4-5-11(7-9)12-10;/h10-12H,2-7H2,1H3;/q-1;
InChIKeyQJOCQMLTDVEQSB-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium?
The IUPAC name of 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium (CID 59813155) is 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium.
What is the SMILES notation for 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium?
The canonical SMILES for 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium is [CH2-]C(CC)=C1CC2CCC(C1)N2.[Y].
What is the InChIKey of 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium?
The InChIKey is QJOCQMLTDVEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N.Y/c1-3-8(2)9-6-10-4-5-11(7-9)12-10;/h10-12H,2-7H2,1H3;/q-1;.
What are the key properties of 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium?
3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium has a molecular weight of 253.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium is sourced from PubChem (CID 59813155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).