acetylazanide;methylbenzene;yttrium

C9H11NOY-2 — CID 59870135

IUPACacetylazanide;methylbenzene;yttrium
SMILESCC([NH-])=O.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C7H7.C2H5NO.Y/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H3,(H2,3,4);/q-1;;/p-1
InChIKeyLTEWNHUBAORDLZ-UHFFFAOYSA-M
MW238.10 g/mol
LogP2.38
Rot. Bonds

About acetylazanide;methylbenzene;yttrium

acetylazanide;methylbenzene;yttrium (PubChem CID 59870135) has the molecular formula C9H11NOY-2 and a molecular weight of 238.10 g/mol. Its IUPAC name is acetylazanide;methylbenzene;yttrium.

Molecular Properties

Compound Nameacetylazanide;methylbenzene;yttrium
PubChem CID59870135
Molecular FormulaC9H11NOY-2
Molecular Weight238.10 g/mol
Exact Mass237.99
IUPAC Nameacetylazanide;methylbenzene;yttrium
SMILESCC([NH-])=O.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C7H7.C2H5NO.Y/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H3,(H2,3,4);/q-1;;/p-1
InChIKeyLTEWNHUBAORDLZ-UHFFFAOYSA-M
XLogP2.38
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 52.38
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 acetylazanide;methylbenzene;yttrium?
The IUPAC name of acetylazanide;methylbenzene;yttrium (CID 59870135) is acetylazanide;methylbenzene;yttrium.
What is the SMILES notation for acetylazanide;methylbenzene;yttrium?
The canonical SMILES for acetylazanide;methylbenzene;yttrium is CC([NH-])=O.Cc1cc[c-]cc1.[Y].
What is the InChIKey of acetylazanide;methylbenzene;yttrium?
The InChIKey is LTEWNHUBAORDLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C2H5NO.Y/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H3,(H2,3,4);/q-1;;/p-1.
What are the key properties of acetylazanide;methylbenzene;yttrium?
acetylazanide;methylbenzene;yttrium has a molecular weight of 238.10 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanide;methylbenzene;yttrium is sourced from PubChem (CID 59870135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).