chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one

C9H11ClO2Pd — CID 10017252

IUPACchloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one
SMILESCl[Pd+].[H]/[C-]=C1/C(=O)C(C)=CC1(C)OC
InChIInChI=1S/C9H11O2.ClH.Pd/c1-6-5-9(3,11-4)7(2)8(6)10;;/h2,5H,1,3-4H3;1H;/q-1;;+2/p-1
InChIKeySIQOONHJSBEJQK-UHFFFAOYSA-M
MW293.06 g/mol
LogP1.97
Rot. Bonds1

About chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one

chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one (PubChem CID 10017252) has the molecular formula C9H11ClO2Pd and a molecular weight of 293.06 g/mol. Its IUPAC name is chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Namechloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one
PubChem CID10017252
Molecular FormulaC9H11ClO2Pd
Molecular Weight293.06 g/mol
Exact Mass291.95
IUPAC Namechloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one
SMILESCl[Pd+].[H]/[C-]=C1/C(=O)C(C)=CC1(C)OC
InChIInChI=1S/C9H11O2.ClH.Pd/c1-6-5-9(3,11-4)7(2)8(6)10;;/h2,5H,1,3-4H3;1H;/q-1;;+2/p-1
InChIKeySIQOONHJSBEJQK-UHFFFAOYSA-M
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
(5Z)-4-methoxy-2,3,4-trimethyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 9992899
(5Z)-4-methoxy-2,3,4-trimethyl-5-[(E)-non-2-en-5-ylidene]cyclopent-2-en-1-one
CID 10401246
(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10444716
chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10474469
chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 10477713
(5Z)-5-but-3-enylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 11820303
2-(Methoxymethyl)cyclopent-2-en-1-one
CID 20381053
(E)-5-methoxy-3,5-dimethylnon-3-en-2-one
CID 87291240
5-Methoxy-3,5-dimethylnon-3-en-2-one
CID 91190022
2-(Propoxymethyl)cyclopent-2-en-1-one
CID 144825927
3-Butyl-5-methanidylidene-4-methoxy-4-methylcyclopent-2-en-1-one;chloropalladium(1+)
CID 9997052

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one (CID 10017252) is chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one is Cl[Pd+].[H]/[C-]=C1/C(=O)C(C)=CC1(C)OC.
What is the InChIKey of chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one?
The InChIKey is SIQOONHJSBEJQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2.ClH.Pd/c1-6-5-9(3,11-4)7(2)8(6)10;;/h2,5H,1,3-4H3;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one?
chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one has a molecular weight of 293.06 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 10017252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).