carbanide;methanone;molybdenum(4+)

C4H6MoO3 — CID 140580744

IUPACcarbanide;methanone;molybdenum(4+)
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mo+4]
InChIInChI=1S/3CHO.CH3.Mo/c3*1-2;;/h3*1H;1H3;/q4*-1;+4
InChIKeyRWWRIWOKBXZREQ-UHFFFAOYSA-N
MW198.03 g/mol
LogP-0.37
Rot. Bonds

About carbanide;methanone;molybdenum(4+)

carbanide;methanone;molybdenum(4+) (PubChem CID 140580744) has the molecular formula C4H6MoO3 and a molecular weight of 198.03 g/mol. Its IUPAC name is carbanide;methanone;molybdenum(4+).

Molecular Properties

Compound Namecarbanide;methanone;molybdenum(4+)
PubChem CID140580744
Molecular FormulaC4H6MoO3
Molecular Weight198.03 g/mol
Exact Mass199.94
IUPAC Namecarbanide;methanone;molybdenum(4+)
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mo+4]
InChIInChI=1S/3CHO.CH3.Mo/c3*1-2;;/h3*1H;1H3;/q4*-1;+4
InChIKeyRWWRIWOKBXZREQ-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 ≤ 500198.03
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;methanone;molybdenum(4+)?
The IUPAC name of carbanide;methanone;molybdenum(4+) (CID 140580744) is carbanide;methanone;molybdenum(4+).
What is the SMILES notation for carbanide;methanone;molybdenum(4+)?
The canonical SMILES for carbanide;methanone;molybdenum(4+) is [CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mo+4].
What is the InChIKey of carbanide;methanone;molybdenum(4+)?
The InChIKey is RWWRIWOKBXZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.CH3.Mo/c3*1-2;;/h3*1H;1H3;/q4*-1;+4.
What are the key properties of carbanide;methanone;molybdenum(4+)?
carbanide;methanone;molybdenum(4+) has a molecular weight of 198.03 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;molybdenum(4+) is sourced from PubChem (CID 140580744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).