palladium(2+);2-prop-2-enylaniline;dichloride

C9H11Cl2NPd — CID 3036591

IUPACpalladium(2+);2-prop-2-enylaniline;dichloride
SMILESC=CCc1ccccc1N.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/C9H11N.2ClH.Pd/c1-2-5-8-6-3-4-7-9(8)10;;;/h2-4,6-7H,1,5,10H2;2*1H;/q;;;+2/p-2
InChIKeyLZUNJDCKTYQPRE-UHFFFAOYSA-L
MW310.52 g/mol
LogP-4.00
Rot. Bonds2

About palladium(2+);2-prop-2-enylaniline;dichloride

palladium(2+);2-prop-2-enylaniline;dichloride (PubChem CID 3036591) has the molecular formula C9H11Cl2NPd and a molecular weight of 310.52 g/mol. Its IUPAC name is palladium(2+);2-prop-2-enylaniline;dichloride.

Molecular Properties

Compound Namepalladium(2+);2-prop-2-enylaniline;dichloride
PubChem CID3036591
Molecular FormulaC9H11Cl2NPd
Molecular Weight310.52 g/mol
Exact Mass308.93
IUPAC Namepalladium(2+);2-prop-2-enylaniline;dichloride
SMILESC=CCc1ccccc1N.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/C9H11N.2ClH.Pd/c1-2-5-8-6-3-4-7-9(8)10;;;/h2-4,6-7H,1,5,10H2;2*1H;/q;;;+2/p-2
InChIKeyLZUNJDCKTYQPRE-UHFFFAOYSA-L
XLogP-4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 5-4.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylaniline
CID 3036592
2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline
CID 161486052
2-(2-aminophenyl)acetaldehyde;hydrochloride
CID 87322292
3-prop-2-enylpyridin-2-amine
CID 22022139
2-prop-2-enylaniline;yttrium
CID 58219768
2-pent-4-enylaniline
CID 57134945
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
5-methyl-2-prop-2-enylaniline
CID 45078970
2-prop-2-enylbenzenediazonium
CID 87917862

Frequently Asked Questions

What is the IUPAC name of palladium(2+);2-prop-2-enylaniline;dichloride?
The IUPAC name of palladium(2+);2-prop-2-enylaniline;dichloride (CID 3036591) is palladium(2+);2-prop-2-enylaniline;dichloride.
What is the SMILES notation for palladium(2+);2-prop-2-enylaniline;dichloride?
The canonical SMILES for palladium(2+);2-prop-2-enylaniline;dichloride is C=CCc1ccccc1N.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of palladium(2+);2-prop-2-enylaniline;dichloride?
The InChIKey is LZUNJDCKTYQPRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11N.2ClH.Pd/c1-2-5-8-6-3-4-7-9(8)10;;;/h2-4,6-7H,1,5,10H2;2*1H;/q;;;+2/p-2.
What are the key properties of palladium(2+);2-prop-2-enylaniline;dichloride?
palladium(2+);2-prop-2-enylaniline;dichloride has a molecular weight of 310.52 g/mol, XLogP of -4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);2-prop-2-enylaniline;dichloride is sourced from PubChem (CID 3036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).