carbanide;cobalt;methanone

C5H7CoO4-5 — CID 87629178

IUPACcarbanide;cobalt;methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Co]
InChIInChI=1S/4CHO.CH3.Co/c4*1-2;;/h4*1H;1H3;/q5*-1;
InChIKeyHUHDNTSUFAOHDI-UHFFFAOYSA-N
MW190.04 g/mol
LogP-0.65
Rot. Bonds

About carbanide;cobalt;methanone

carbanide;cobalt;methanone (PubChem CID 87629178) has the molecular formula C5H7CoO4-5 and a molecular weight of 190.04 g/mol. Its IUPAC name is carbanide;cobalt;methanone.

Molecular Properties

Compound Namecarbanide;cobalt;methanone
PubChem CID87629178
Molecular FormulaC5H7CoO4-5
Molecular Weight190.04 g/mol
Exact Mass189.97
IUPAC Namecarbanide;cobalt;methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Co]
InChIInChI=1S/4CHO.CH3.Co/c4*1-2;;/h4*1H;1H3;/q5*-1;
InChIKeyHUHDNTSUFAOHDI-UHFFFAOYSA-N
XLogP-0.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;cobalt;methanone?
The IUPAC name of carbanide;cobalt;methanone (CID 87629178) is carbanide;cobalt;methanone.
What is the SMILES notation for carbanide;cobalt;methanone?
The canonical SMILES for carbanide;cobalt;methanone is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Co].
What is the InChIKey of carbanide;cobalt;methanone?
The InChIKey is HUHDNTSUFAOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/4CHO.CH3.Co/c4*1-2;;/h4*1H;1H3;/q5*-1;.
What are the key properties of carbanide;cobalt;methanone?
carbanide;cobalt;methanone has a molecular weight of 190.04 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cobalt;methanone is sourced from PubChem (CID 87629178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).