acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium

C17H18NO2Pd- — CID 134838406

IUPACacetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium
SMILESCC(=O)O.CC([NH-])=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;/h2-11,16H,1H3;1H3,(H,3,4);/q-1;;
InChIKeyWTPAGMJWJFHBMR-UHFFFAOYSA-N
MW374.76 g/mol
LogP4.61
Rot. Bonds2

About acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium

acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium (PubChem CID 134838406) has the molecular formula C17H18NO2Pd- and a molecular weight of 374.76 g/mol. Its IUPAC name is acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium.

Molecular Properties

Compound Nameacetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium
PubChem CID134838406
Molecular FormulaC17H18NO2Pd-
Molecular Weight374.76 g/mol
Exact Mass374.04
IUPAC Nameacetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium
SMILESCC(=O)O.CC([NH-])=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;/h2-11,16H,1H3;1H3,(H,3,4);/q-1;;
InChIKeyWTPAGMJWJFHBMR-UHFFFAOYSA-N
XLogP4.61
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Acetic acid;2-methyl-1-phenylpropan-2-amine
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[(1-Cyclohexylidene-2-phenylethyl)amino] acetate
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(2S)-2-aminopropanoic acid;1,1'-biphenyl
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2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid
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CID 67199123

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium?
The IUPAC name of acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium (CID 134838406) is acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium.
What is the SMILES notation for acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium?
The canonical SMILES for acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium is CC(=O)O.CC([NH-])=C(c1ccccc1)c1ccccc1.[Pd].
What is the InChIKey of acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium?
The InChIKey is WTPAGMJWJFHBMR-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;/h2-11,16H,1H3;1H3,(H,3,4);/q-1;;.
What are the key properties of acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium?
acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium has a molecular weight of 374.76 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium is sourced from PubChem (CID 134838406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).