4-methanidylpentan-2-one;yttrium

C6H10OY-2 — CID 147863324

IUPAC4-methanidylpentan-2-one;yttrium
SMILES[CH2-]C(=O)CC([CH2-])C.[Y]
InChIInChI=1S/C6H10O.Y/c1-5(2)4-6(3)7;/h5H,1,3-4H2,2H3;/q-2;
InChIKeyWZLVVWPDLNGOGB-UHFFFAOYSA-N
MW187.05 g/mol
LogP1.25
Rot. Bonds2

About 4-methanidylpentan-2-one;yttrium

4-methanidylpentan-2-one;yttrium (PubChem CID 147863324) has the molecular formula C6H10OY-2 and a molecular weight of 187.05 g/mol. Its IUPAC name is 4-methanidylpentan-2-one;yttrium.

Molecular Properties

Compound Name4-methanidylpentan-2-one;yttrium
PubChem CID147863324
Molecular FormulaC6H10OY-2
Molecular Weight187.05 g/mol
Exact Mass186.98
IUPAC Name4-methanidylpentan-2-one;yttrium
SMILES[CH2-]C(=O)CC([CH2-])C.[Y]
InChIInChI=1S/C6H10O.Y/c1-5(2)4-6(3)7;/h5H,1,3-4H2,2H3;/q-2;
InChIKeyWZLVVWPDLNGOGB-UHFFFAOYSA-N
XLogP1.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.05
LogP ≤ 51.25
H-Bond Donors ≤ 50
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 4-methanidylpentan-2-one;yttrium?
The IUPAC name of 4-methanidylpentan-2-one;yttrium (CID 147863324) is 4-methanidylpentan-2-one;yttrium.
What is the SMILES notation for 4-methanidylpentan-2-one;yttrium?
The canonical SMILES for 4-methanidylpentan-2-one;yttrium is [CH2-]C(=O)CC([CH2-])C.[Y].
What is the InChIKey of 4-methanidylpentan-2-one;yttrium?
The InChIKey is WZLVVWPDLNGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.Y/c1-5(2)4-6(3)7;/h5H,1,3-4H2,2H3;/q-2;.
What are the key properties of 4-methanidylpentan-2-one;yttrium?
4-methanidylpentan-2-one;yttrium has a molecular weight of 187.05 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidylpentan-2-one;yttrium is sourced from PubChem (CID 147863324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).