acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium

C17H18NO2Pd- — CID 134838405

IUPACacetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium
SMILESCC(=O)O.CC(=[N-])C(c1ccccc1)c1ccccc1.[Pd]
InChIInChI=1S/C15H14N.C2H4O2.Pd/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2(3)4;/h2-11,15H,1H3;1H3,(H,3,4);/q-1;;
InChIKeyVZJOJLMNADWQIV-UHFFFAOYSA-N
MW374.76 g/mol
LogP3.94
Rot. Bonds3

About acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium

acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium (PubChem CID 134838405) has the molecular formula C17H18NO2Pd- and a molecular weight of 374.76 g/mol. Its IUPAC name is acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium.

Molecular Properties

Compound Nameacetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium
PubChem CID134838405
Molecular FormulaC17H18NO2Pd-
Molecular Weight374.76 g/mol
Exact Mass374.04
IUPAC Nameacetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium
SMILESCC(=O)O.CC(=[N-])C(c1ccccc1)c1ccccc1.[Pd]
InChIInChI=1S/C15H14N.C2H4O2.Pd/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2(3)4;/h2-11,15H,1H3;1H3,(H,3,4);/q-1;;
InChIKeyVZJOJLMNADWQIV-UHFFFAOYSA-N
XLogP3.94
TPSA59.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium?
The IUPAC name of acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium (CID 134838405) is acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium.
What is the SMILES notation for acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium?
The canonical SMILES for acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium is CC(=O)O.CC(=[N-])C(c1ccccc1)c1ccccc1.[Pd].
What is the InChIKey of acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium?
The InChIKey is VZJOJLMNADWQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N.C2H4O2.Pd/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2(3)4;/h2-11,15H,1H3;1H3,(H,3,4);/q-1;;.
What are the key properties of acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium?
acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium has a molecular weight of 374.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,1-diphenylpropan-2-ylideneazanide;palladium is sourced from PubChem (CID 134838405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).