1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)

C8H11NPd — CID 138962357

IUPAC1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)
SMILESCN(C)Cc1[c-]cc[cH-]1.[Pd+2]
InChIInChI=1S/C8H11N.Pd/c1-9(2)7-8-5-3-4-6-8;/h3-5H,7H2,1-2H3;/q-2;+2
InChIKeySBBMXXLKDNFASA-UHFFFAOYSA-N
MW227.60 g/mol
LogP1.26
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)

1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+) (PubChem CID 138962357) has the molecular formula C8H11NPd and a molecular weight of 227.60 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+).

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)
PubChem CID138962357
Molecular FormulaC8H11NPd
Molecular Weight227.60 g/mol
Exact Mass226.99
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)
SMILESCN(C)Cc1[c-]cc[cH-]1.[Pd+2]
InChIInChI=1S/C8H11N.Pd/c1-9(2)7-8-5-3-4-6-8;/h3-5H,7H2,1-2H3;/q-2;+2
InChIKeySBBMXXLKDNFASA-UHFFFAOYSA-N
XLogP1.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.60
LogP ≤ 51.26
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 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+) (CID 138962357) is 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+).
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+) is CN(C)Cc1[c-]cc[cH-]1.[Pd+2].
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)?
The InChIKey is SBBMXXLKDNFASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.Pd/c1-9(2)7-8-5-3-4-6-8;/h3-5H,7H2,1-2H3;/q-2;+2.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)?
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+) has a molecular weight of 227.60 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+) is sourced from PubChem (CID 138962357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).