ethane;1-(3-oxobutyl)piperidin-4-one;yttrium

C11H19NO2Y-2 — CID 58101920

IUPACethane;1-(3-oxobutyl)piperidin-4-one;yttrium
SMILES[CH2-]C.[CH2-]C(=O)CCN1CCC(=O)CC1.[Y]
InChIInChI=1S/C9H14NO2.C2H5.Y/c1-8(11)2-5-10-6-3-9(12)4-7-10;1-2;/h1-7H2;1H2,2H3;/q2*-1;
InChIKeyHCGRRWMMRLXYIP-UHFFFAOYSA-N
MW286.18 g/mol
LogP1.28
Rot. Bonds3

About ethane;1-(3-oxobutyl)piperidin-4-one;yttrium

ethane;1-(3-oxobutyl)piperidin-4-one;yttrium (PubChem CID 58101920) has the molecular formula C11H19NO2Y-2 and a molecular weight of 286.18 g/mol. Its IUPAC name is ethane;1-(3-oxobutyl)piperidin-4-one;yttrium.

Molecular Properties

Compound Nameethane;1-(3-oxobutyl)piperidin-4-one;yttrium
PubChem CID58101920
Molecular FormulaC11H19NO2Y-2
Molecular Weight286.18 g/mol
Exact Mass286.05
IUPAC Nameethane;1-(3-oxobutyl)piperidin-4-one;yttrium
SMILES[CH2-]C.[CH2-]C(=O)CCN1CCC(=O)CC1.[Y]
InChIInChI=1S/C9H14NO2.C2H5.Y/c1-8(11)2-5-10-6-3-9(12)4-7-10;1-2;/h1-7H2;1H2,2H3;/q2*-1;
InChIKeyHCGRRWMMRLXYIP-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-(3-oxobutyl)piperidin-4-one;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-oxobutyl)piperidin-4-one;yttrium?
The IUPAC name of ethane;1-(3-oxobutyl)piperidin-4-one;yttrium (CID 58101920) is ethane;1-(3-oxobutyl)piperidin-4-one;yttrium.
What is the SMILES notation for ethane;1-(3-oxobutyl)piperidin-4-one;yttrium?
The canonical SMILES for ethane;1-(3-oxobutyl)piperidin-4-one;yttrium is [CH2-]C.[CH2-]C(=O)CCN1CCC(=O)CC1.[Y].
What is the InChIKey of ethane;1-(3-oxobutyl)piperidin-4-one;yttrium?
The InChIKey is HCGRRWMMRLXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO2.C2H5.Y/c1-8(11)2-5-10-6-3-9(12)4-7-10;1-2;/h1-7H2;1H2,2H3;/q2*-1;.
What are the key properties of ethane;1-(3-oxobutyl)piperidin-4-one;yttrium?
ethane;1-(3-oxobutyl)piperidin-4-one;yttrium has a molecular weight of 286.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-oxobutyl)piperidin-4-one;yttrium is sourced from PubChem (CID 58101920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).