carbanide;methanone;rhenium

C4H6O3Re-4 — CID 134834043

IUPACcarbanide;methanone;rhenium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re]
InChIInChI=1S/3CHO.CH3.Re/c3*1-2;;/h3*1H;1H3;/q4*-1;
InChIKeyCOTYOUBRXJQKDI-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.37
Rot. Bonds

About carbanide;methanone;rhenium

carbanide;methanone;rhenium (PubChem CID 134834043) has the molecular formula C4H6O3Re-4 and a molecular weight of 288.30 g/mol. Its IUPAC name is carbanide;methanone;rhenium.

Molecular Properties

Compound Namecarbanide;methanone;rhenium
PubChem CID134834043
Molecular FormulaC4H6O3Re-4
Molecular Weight288.30 g/mol
Exact Mass288.99
IUPAC Namecarbanide;methanone;rhenium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re]
InChIInChI=1S/3CHO.CH3.Re/c3*1-2;;/h3*1H;1H3;/q4*-1;
InChIKeyCOTYOUBRXJQKDI-UHFFFAOYSA-N
XLogP-0.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 134834043) 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.[CH3-].[Re].
What is the InChIKey of carbanide;methanone;rhenium?
The InChIKey is COTYOUBRXJQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.CH3.Re/c3*1-2;;/h3*1H;1H3;/q4*-1;.
What are the key properties of carbanide;methanone;rhenium?
carbanide;methanone;rhenium has a molecular weight of 288.30 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanone;rhenium is sourced from PubChem (CID 134834043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).