carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)

C9H14OPt — CID 141370392

IUPACcarbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)
SMILESC[C-]=O.[CH3-].[CH3-].[Pt+4].c1cc[cH-]c1
InChIInChI=1S/C5H5.C2H3O.2CH3.Pt/c1-2-4-5-3-1;1-2-3;;;/h1-5H;1H3;2*1H3;/q4*-1;+4
InChIKeyDZJUSMDSWFOLAO-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.42
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)

carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+) (PubChem CID 141370392) has the molecular formula C9H14OPt and a molecular weight of 333.29 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)
PubChem CID141370392
Molecular FormulaC9H14OPt
Molecular Weight333.29 g/mol
Exact Mass333.07
IUPAC Namecarbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)
SMILESC[C-]=O.[CH3-].[CH3-].[Pt+4].c1cc[cH-]c1
InChIInChI=1S/C5H5.C2H3O.2CH3.Pt/c1-2-4-5-3-1;1-2-3;;;/h1-5H;1H3;2*1H3;/q4*-1;+4
InChIKeyDZJUSMDSWFOLAO-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.42
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 carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+) (CID 141370392) is carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+) is C[C-]=O.[CH3-].[CH3-].[Pt+4].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)?
The InChIKey is DZJUSMDSWFOLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C2H3O.2CH3.Pt/c1-2-4-5-3-1;1-2-3;;;/h1-5H;1H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)?
carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+) has a molecular weight of 333.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+) is sourced from PubChem (CID 141370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).