carbanide;methanone;rhenium

C6H8O5Re-6 — CID 15319986

IUPACcarbanide;methanone;rhenium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re]
InChIInChI=1S/5CHO.CH3.Re/c5*1-2;;/h5*1H;1H3;/q6*-1;
InChIKeyLLYCPNYJWRKTLF-UHFFFAOYSA-N
MW346.33 g/mol
LogP-0.92
Rot. Bonds

About carbanide;methanone;rhenium

carbanide;methanone;rhenium (PubChem CID 15319986) has the molecular formula C6H8O5Re-6 and a molecular weight of 346.33 g/mol. Its IUPAC name is carbanide;methanone;rhenium.

Molecular Properties

Compound Namecarbanide;methanone;rhenium
PubChem CID15319986
Molecular FormulaC6H8O5Re-6
Molecular Weight346.33 g/mol
Exact Mass347.00
IUPAC Namecarbanide;methanone;rhenium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re]
InChIInChI=1S/5CHO.CH3.Re/c5*1-2;;/h5*1H;1H3;/q6*-1;
InChIKeyLLYCPNYJWRKTLF-UHFFFAOYSA-N
XLogP-0.92
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 5-0.92
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 carbanide;methanone;rhenium?
The IUPAC name of carbanide;methanone;rhenium (CID 15319986) is carbanide;methanone;rhenium.
What is the SMILES notation for carbanide;methanone;rhenium?
The canonical SMILES for carbanide;methanone;rhenium is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re].
What is the InChIKey of carbanide;methanone;rhenium?
The InChIKey is LLYCPNYJWRKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/5CHO.CH3.Re/c5*1-2;;/h5*1H;1H3;/q6*-1;.
What are the key properties of carbanide;methanone;rhenium?
carbanide;methanone;rhenium has a molecular weight of 346.33 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanone;rhenium is sourced from PubChem (CID 15319986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).