carbanide;chromium dihydride;methanone

C4H6CrO3-4 — CID 135032540

IUPACcarbanide;chromium dihydride;methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Cr]
InChIInChI=1S/3CHO.CH3.Cr/c3*1-2;;/h3*1H;1H3;/q4*-1;
InChIKeyRBZSEIIQXRSQPL-UHFFFAOYSA-N
MW154.09 g/mol
LogP-0.37
Rot. Bonds

About carbanide;chromium dihydride;methanone

carbanide;chromium dihydride;methanone (PubChem CID 135032540) has the molecular formula C4H6CrO3-4 and a molecular weight of 154.09 g/mol. Its IUPAC name is carbanide;chromium dihydride;methanone.

Molecular Properties

Compound Namecarbanide;chromium dihydride;methanone
PubChem CID135032540
Molecular FormulaC4H6CrO3-4
Molecular Weight154.09 g/mol
Exact Mass153.97
IUPAC Namecarbanide;chromium dihydride;methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Cr]
InChIInChI=1S/3CHO.CH3.Cr/c3*1-2;;/h3*1H;1H3;/q4*-1;
InChIKeyRBZSEIIQXRSQPL-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 ≤ 500154.09
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;chromium dihydride;methanone?
The IUPAC name of carbanide;chromium dihydride;methanone (CID 135032540) is carbanide;chromium dihydride;methanone.
What is the SMILES notation for carbanide;chromium dihydride;methanone?
The canonical SMILES for carbanide;chromium dihydride;methanone is [CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Cr].
What is the InChIKey of carbanide;chromium dihydride;methanone?
The InChIKey is RBZSEIIQXRSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.CH3.Cr/c3*1-2;;/h3*1H;1H3;/q4*-1;.
What are the key properties of carbanide;chromium dihydride;methanone?
carbanide;chromium dihydride;methanone has a molecular weight of 154.09 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;chromium dihydride;methanone is sourced from PubChem (CID 135032540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).