methanone;rhenium

C5H5O5Re-5 — CID 74935474

IUPACmethanone;rhenium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Re]
InChIInChI=1S/5CHO.Re/c5*1-2;/h5*1H;/q5*-1;
InChIKeyKFXIAWNOAWFSJP-UHFFFAOYSA-N
MW331.30 g/mol
LogP-1.37
Rot. Bonds

About methanone;rhenium

methanone;rhenium (PubChem CID 74935474) has the molecular formula C5H5O5Re-5 and a molecular weight of 331.30 g/mol. Its IUPAC name is methanone;rhenium.

Molecular Properties

Compound Namemethanone;rhenium
PubChem CID74935474
Molecular FormulaC5H5O5Re-5
Molecular Weight331.30 g/mol
Exact Mass331.97
IUPAC Namemethanone;rhenium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Re]
InChIInChI=1S/5CHO.Re/c5*1-2;/h5*1H;/q5*-1;
InChIKeyKFXIAWNOAWFSJP-UHFFFAOYSA-N
XLogP-1.37
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanone;rhenium?
The IUPAC name of methanone;rhenium (CID 74935474) is methanone;rhenium.
What is the SMILES notation for methanone;rhenium?
The canonical SMILES for methanone;rhenium is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Re].
What is the InChIKey of methanone;rhenium?
The InChIKey is KFXIAWNOAWFSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/5CHO.Re/c5*1-2;/h5*1H;/q5*-1;.
What are the key properties of methanone;rhenium?
methanone;rhenium has a molecular weight of 331.30 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;rhenium is sourced from PubChem (CID 74935474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).