benzonitrile;yttrium

C7H4NY- — CID 58485512

IUPACbenzonitrile;yttrium
SMILESN#Cc1[c-]cccc1.[Y]
InChIInChI=1S/C7H4N.Y/c8-6-7-4-2-1-3-5-7;/h1-4H;/q-1;
InChIKeyNESOQJLVZISBCR-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.36
Rot. Bonds

About benzonitrile;yttrium

benzonitrile;yttrium (PubChem CID 58485512) has the molecular formula C7H4NY- and a molecular weight of 191.02 g/mol. Its IUPAC name is benzonitrile;yttrium.

Molecular Properties

Compound Namebenzonitrile;yttrium
PubChem CID58485512
Molecular FormulaC7H4NY-
Molecular Weight191.02 g/mol
Exact Mass190.94
IUPAC Namebenzonitrile;yttrium
SMILESN#Cc1[c-]cccc1.[Y]
InChIInChI=1S/C7H4N.Y/c8-6-7-4-2-1-3-5-7;/h1-4H;/q-1;
InChIKeyNESOQJLVZISBCR-UHFFFAOYSA-N
XLogP1.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.36
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 benzonitrile;yttrium?
The IUPAC name of benzonitrile;yttrium (CID 58485512) is benzonitrile;yttrium.
What is the SMILES notation for benzonitrile;yttrium?
The canonical SMILES for benzonitrile;yttrium is N#Cc1[c-]cccc1.[Y].
What is the InChIKey of benzonitrile;yttrium?
The InChIKey is NESOQJLVZISBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N.Y/c8-6-7-4-2-1-3-5-7;/h1-4H;/q-1;.
What are the key properties of benzonitrile;yttrium?
benzonitrile;yttrium has a molecular weight of 191.02 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;yttrium is sourced from PubChem (CID 58485512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).