carbamoyl acetate;manganese

C3H5MnNO3 — CID 160559412

IUPACcarbamoyl acetate;manganese
SMILESCC(=O)OC(N)=O.[Mn]
InChIInChI=1S/C3H5NO3.Mn/c1-2(5)7-3(4)6;/h1H3,(H2,4,6);
InChIKeyQZCLYYHGZOAGGX-UHFFFAOYSA-N
MW158.01 g/mol
LogP-0.37
Rot. Bonds

About carbamoyl acetate;manganese

carbamoyl acetate;manganese (PubChem CID 160559412) has the molecular formula C3H5MnNO3 and a molecular weight of 158.01 g/mol. Its IUPAC name is carbamoyl acetate;manganese.

Molecular Properties

Compound Namecarbamoyl acetate;manganese
PubChem CID160559412
Molecular FormulaC3H5MnNO3
Molecular Weight158.01 g/mol
Exact Mass157.96
IUPAC Namecarbamoyl acetate;manganese
SMILESCC(=O)OC(N)=O.[Mn]
InChIInChI=1S/C3H5NO3.Mn/c1-2(5)7-3(4)6;/h1H3,(H2,4,6);
InChIKeyQZCLYYHGZOAGGX-UHFFFAOYSA-N
XLogP-0.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.01
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbamoyl acetate;manganese?
The IUPAC name of carbamoyl acetate;manganese (CID 160559412) is carbamoyl acetate;manganese.
What is the SMILES notation for carbamoyl acetate;manganese?
The canonical SMILES for carbamoyl acetate;manganese is CC(=O)OC(N)=O.[Mn].
What is the InChIKey of carbamoyl acetate;manganese?
The InChIKey is QZCLYYHGZOAGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3.Mn/c1-2(5)7-3(4)6;/h1H3,(H2,4,6);.
What are the key properties of carbamoyl acetate;manganese?
carbamoyl acetate;manganese has a molecular weight of 158.01 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl acetate;manganese is sourced from PubChem (CID 160559412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).