benzene;N-(2-oxocyclopentyl)butanamide;yttrium

C15H19NO2Y-2 — CID 59378329

IUPACbenzene;N-(2-oxocyclopentyl)butanamide;yttrium
SMILES[CH2-]CCC(=O)NC1CCCC1=O.[Y].[c-]1ccccc1
InChIInChI=1S/C9H14NO2.C6H5.Y/c1-2-4-9(12)10-7-5-3-6-8(7)11;1-2-4-6-5-3-1;/h7H,1-6H2,(H,10,12);1-5H;/q2*-1;
InChIKeyXTHBTRGMBPXVEQ-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.32
Rot. Bonds3

About benzene;N-(2-oxocyclopentyl)butanamide;yttrium

benzene;N-(2-oxocyclopentyl)butanamide;yttrium (PubChem CID 59378329) has the molecular formula C15H19NO2Y-2 and a molecular weight of 334.23 g/mol. Its IUPAC name is benzene;N-(2-oxocyclopentyl)butanamide;yttrium.

Molecular Properties

Compound Namebenzene;N-(2-oxocyclopentyl)butanamide;yttrium
PubChem CID59378329
Molecular FormulaC15H19NO2Y-2
Molecular Weight334.23 g/mol
Exact Mass334.05
IUPAC Namebenzene;N-(2-oxocyclopentyl)butanamide;yttrium
SMILES[CH2-]CCC(=O)NC1CCCC1=O.[Y].[c-]1ccccc1
InChIInChI=1S/C9H14NO2.C6H5.Y/c1-2-4-9(12)10-7-5-3-6-8(7)11;1-2-4-6-5-3-1;/h7H,1-6H2,(H,10,12);1-5H;/q2*-1;
InChIKeyXTHBTRGMBPXVEQ-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 benzene;N-(2-oxocyclopentyl)butanamide;yttrium?
The IUPAC name of benzene;N-(2-oxocyclopentyl)butanamide;yttrium (CID 59378329) is benzene;N-(2-oxocyclopentyl)butanamide;yttrium.
What is the SMILES notation for benzene;N-(2-oxocyclopentyl)butanamide;yttrium?
The canonical SMILES for benzene;N-(2-oxocyclopentyl)butanamide;yttrium is [CH2-]CCC(=O)NC1CCCC1=O.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;N-(2-oxocyclopentyl)butanamide;yttrium?
The InChIKey is XTHBTRGMBPXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO2.C6H5.Y/c1-2-4-9(12)10-7-5-3-6-8(7)11;1-2-4-6-5-3-1;/h7H,1-6H2,(H,10,12);1-5H;/q2*-1;.
What are the key properties of benzene;N-(2-oxocyclopentyl)butanamide;yttrium?
benzene;N-(2-oxocyclopentyl)butanamide;yttrium has a molecular weight of 334.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(2-oxocyclopentyl)butanamide;yttrium is sourced from PubChem (CID 59378329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).