carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum

C9H13OPt-3 — CID 140887867

IUPACcarbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum
SMILESO=[C-]CC1C=CC=C1.[CH3-].[CH3-].[Pt]
InChIInChI=1S/C7H7O.2CH3.Pt/c8-6-5-7-3-1-2-4-7;;;/h1-4,7H,5H2;2*1H3;/q3*-1;
InChIKeyMLSUXKLYVVNZPV-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.13
Rot. Bonds2

About carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum

carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum (PubChem CID 140887867) has the molecular formula C9H13OPt-3 and a molecular weight of 332.28 g/mol. Its IUPAC name is carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum.

Molecular Properties

Compound Namecarbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum
PubChem CID140887867
Molecular FormulaC9H13OPt-3
Molecular Weight332.28 g/mol
Exact Mass332.06
IUPAC Namecarbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum
SMILESO=[C-]CC1C=CC=C1.[CH3-].[CH3-].[Pt]
InChIInChI=1S/C7H7O.2CH3.Pt/c8-6-5-7-3-1-2-4-7;;;/h1-4,7H,5H2;2*1H3;/q3*-1;
InChIKeyMLSUXKLYVVNZPV-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.13
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;2-cyclopenta-2,4-dien-1-ylethanone;platinum?
The IUPAC name of carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum (CID 140887867) is carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum.
What is the SMILES notation for carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum?
The canonical SMILES for carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum is O=[C-]CC1C=CC=C1.[CH3-].[CH3-].[Pt].
What is the InChIKey of carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum?
The InChIKey is MLSUXKLYVVNZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.2CH3.Pt/c8-6-5-7-3-1-2-4-7;;;/h1-4,7H,5H2;2*1H3;/q3*-1;.
What are the key properties of carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum?
carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum has a molecular weight of 332.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-cyclopenta-2,4-dien-1-ylethanone;platinum is sourced from PubChem (CID 140887867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).