carbanide;manganese;methanone

C4H6MnO3-4 — CID 21015802

IUPACcarbanide;manganese;methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mn]
InChIInChI=1S/3CHO.CH3.Mn/c3*1-2;;/h3*1H;1H3;/q4*-1;
InChIKeyDTBCRYYZYZJNFF-UHFFFAOYSA-N
MW157.03 g/mol
LogP-0.37
Rot. Bonds

About carbanide;manganese;methanone

carbanide;manganese;methanone (PubChem CID 21015802) has the molecular formula C4H6MnO3-4 and a molecular weight of 157.03 g/mol. Its IUPAC name is carbanide;manganese;methanone.

Molecular Properties

Compound Namecarbanide;manganese;methanone
PubChem CID21015802
Molecular FormulaC4H6MnO3-4
Molecular Weight157.03 g/mol
Exact Mass156.97
IUPAC Namecarbanide;manganese;methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mn]
InChIInChI=1S/3CHO.CH3.Mn/c3*1-2;;/h3*1H;1H3;/q4*-1;
InChIKeyDTBCRYYZYZJNFF-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 ≤ 500157.03
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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Frequently Asked Questions

What is the IUPAC name of carbanide;manganese;methanone?
The IUPAC name of carbanide;manganese;methanone (CID 21015802) is carbanide;manganese;methanone.
What is the SMILES notation for carbanide;manganese;methanone?
The canonical SMILES for carbanide;manganese;methanone is [CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mn].
What is the InChIKey of carbanide;manganese;methanone?
The InChIKey is DTBCRYYZYZJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.CH3.Mn/c3*1-2;;/h3*1H;1H3;/q4*-1;.
What are the key properties of carbanide;manganese;methanone?
carbanide;manganese;methanone has a molecular weight of 157.03 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;manganese;methanone is sourced from PubChem (CID 21015802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).