carbon monoxide;cyclopenta-1,3-diene;rhenium

C8HO3Re-5 — CID 131868993

IUPACcarbon monoxide;cyclopenta-1,3-diene;rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C5H.3CO.Re/c1-2-4-5-3-1;3*1-2;/h1H;;;;/q-5;;;;
InChIKeyNFJLZKWDFPUMHT-UHFFFAOYSA-N
MW331.30 g/mol
LogP0.49
Rot. Bonds

About carbon monoxide;cyclopenta-1,3-diene;rhenium

carbon monoxide;cyclopenta-1,3-diene;rhenium (PubChem CID 131868993) has the molecular formula C8HO3Re-5 and a molecular weight of 331.30 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;rhenium.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;rhenium
PubChem CID131868993
Molecular FormulaC8HO3Re-5
Molecular Weight331.30 g/mol
Exact Mass331.95
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C5H.3CO.Re/c1-2-4-5-3-1;3*1-2;/h1H;;;;/q-5;;;;
InChIKeyNFJLZKWDFPUMHT-UHFFFAOYSA-N
XLogP0.49
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;rhenium?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;rhenium (CID 131868993) is carbon monoxide;cyclopenta-1,3-diene;rhenium.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;rhenium?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;rhenium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[c-]1[c-][c-][cH-][c-]1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;rhenium?
The InChIKey is NFJLZKWDFPUMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H.3CO.Re/c1-2-4-5-3-1;3*1-2;/h1H;;;;/q-5;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;rhenium?
carbon monoxide;cyclopenta-1,3-diene;rhenium has a molecular weight of 331.30 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;rhenium is sourced from PubChem (CID 131868993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).